0 B16R2.11592 CC(=O)CC(=O)c1cc2ccccc2s1 1458a_100000070787_100012351422 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.11592 CC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100015343762 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.11592 CC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100015343762 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.11592 CC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100015343762 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.11592 CC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100103153847 [0,0,0,0,0,0|2,0,0]=2 5 B16R2.11592 CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 11a_100015206438_100015343762 [0,0,0,0,0,0|3,0,0]=3 6 B16R2.11592 CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 240690a_100015206438_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.11592 CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 527a_100015206438_100103153847 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.11592 CC(C)NC(C)c1nc2ccccc2s1 2230a_100000213967_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.11592 CN(CC(=O)N)c1nc2ccccc2[nH]1 27a_100000739694_100009814255 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.11592 CN(CC(=O)N)c1nc2ccccc2s1 27a_100000739694_100000751744 [0,0,0,0,0,0|3,0,0]=3 11 B16R2.11592 CN(CC(=O)N)c1nc2cccnc2s1 27a_100000739694_100010188088 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.11592 NC(=O)CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000187820 [0,0,0,0,0,0|3,0,1]=4 13 B15R2.1356 CCNC(C)c1cc2ccccc2[nH]1 269862a_100015525214_100000696822 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.1356 CCNC(C)c1cc2ccccc2o1 269862a_100015525214_100000185295 [1,0,0,0,0,0|1,1,1]=4 15 B15R2.1356 CCNC(C)c1cc2ccccc2s1 269862a_100015525214_100011216072 [1,0,0,0,0,0|1,0,1]=3 16 B15R2.1356 CCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000210202 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 1458a_200000069995_200000210301 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.1660 CC(=O)CCc1nc2ccccc2s1 1458a_100000182949_200000210301 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 11a_100015204011_100015343762 [1,0,0,0,0,0|2,0,0]=3 20 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_100015343762 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 527a_100015204011_100103153847 [1,0,0,0,0,0|2,0,0]=3 22 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 11a_100011220112_100015343762 [1,0,0,0,0,0|1,1,0]=3 23 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100015343762 [1,0,0,0,0,0|1,1,0]=3 24 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100015343762 [1,0,0,0,0,0|1,1,0]=3 25 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 527a_100011220112_100103153847 [1,0,0,0,0,0|1,1,0]=3 26 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 1626a_100015187092_100015343762 [1,0,0,0,0,0|1,0,0]=2 27 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 240690a_100015187092_100015343762 [1,0,0,0,0,0|1,0,0]=2 28 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 527a_100015187092_100103153847 [1,0,0,0,0,0|1,0,0]=2 29 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 11a_100025703164_100015343762 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 240690a_100025703164_100015343762 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 527a_100025703164_100103153847 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.1660 CC(=O)NCc1cc2cnccc2[nH]1 240690a_100025703177_100015343762 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.1660 CC(=O)NCc1cc2cnccc2[nH]1 527a_100025703177_100103153847 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 1626a_100000195574_100015343762 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 240690a_100000195574_100015343762 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 527a_100000195574_100103153847 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100015343762 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100103153847 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 11a_100000733820_100015343762 [1,0,0,0,0,0|2,1,0]=4 40 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100015343762 [1,0,0,0,0,0|2,1,0]=4 41 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100015343762 [1,0,0,0,0,0|2,1,0]=4 42 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 527a_100000733820_100103153847 [1,0,0,0,0,0|2,1,0]=4 43 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 11a_100000174905_100015343762 [1,0,0,0,0,0|2,0,0]=3 44 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100015343762 [1,0,0,0,0,0|2,0,0]=3 45 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100015343762 [1,0,0,0,0,0|2,0,0]=3 46 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 527a_100000174905_100103153847 [1,0,0,0,0,0|2,0,0]=3 47 B15R2.1660 CC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000070787 [1,0,0,0,0,0|3,0,0]=4 48 B15R2.1660 CC(C)NCc1cc2ccccc2s1 207a_100138425928_100000686906 [1,0,0,0,0,0|2,0,1]=4 49 B15R2.1660 CC(C)NCc1cc2ccccc2s1 2230a_100015187092_100000210206 [1,0,0,0,0,0|2,0,1]=4 50 B15R2.1660 NC(=O)CSc1cc2ccccc2[nH]1 62a_100000747473_100010232065 [1,0,0,0,0,0|3,0,0]=4 51 B15R2.1660 NC(=O)CSc1cc2ccccc2o1 62a_100000747473_100010159458 [1,0,0,0,0,0|2,1,0]=4 52 B15R2.1660 NC(=O)CSc1cc2ccccc2s1 62a_100000747473_100009816949 [1,0,0,0,0,0|2,0,0]=3 53 B15R2.1660 NC(=O)CSc1nc2ccccc2s1 62a_100000747473_100000751744 [1,0,0,0,0,0|3,0,0]=4 54 B15R2.1660 O=C([O-])CSc1cc2ccccc2s1 62a_100020667443_100009816949 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.1660 [13CH3]C(=O)CCc1cc2ccccc2s1 1458a_200000069995_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2s1 1458a_100000182949_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B17R2.6128 C=CC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000185746 [0,1,0,0,0,0|2,0,0]=3 58 B17R2.6128 C=CC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_200121576911 [0,1,0,0,0,0|2,0,0]=3 59 B17R2.6128 C=CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 240690a_100015206438_200121576911 [0,1,0,0,0,0|3,0,0]=4 60 B17R2.6128 CC(NC(=O)CO)c1nc2ccccc2s1 240690a_100000213967_100000210174 [0,1,0,0,0,0|2,0,0]=3 61 B17R2.6128 CC(NC(=O)CO)c1nc2ccccc2s1 527a_100000213967_100000210174 [0,1,0,0,0,0|2,0,0]=3 62 B17R2.6128 CC(N[C@H](C)CF)c1cc2ccccc2s1 269862a_100102880703_100011216072 [0,1,0,0,0,0|2,0,1]=4 63 B17R2.6128 CC(N[C@H](C)CO)c1cc2ccccc2s1 269862a_100000737577_100011216072 [0,1,0,0,0,0|1,0,2]=4 64 B17R2.6128 CCC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000210414 [0,1,0,0,0,0|2,0,0]=3 65 B17R2.6128 CCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000210414 [0,1,0,0,0,0|2,0,0]=3 66 B17R2.6128 CCC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000210414 [0,1,0,0,0,0|2,0,0]=3 67 B17R2.6128 CCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100000210414 [0,1,0,0,0,0|2,0,0]=3 68 B17R2.6128 CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 11a_100015206438_100000210414 [0,1,0,0,0,0|3,0,0]=4 69 B17R2.6128 CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 240690a_100015206438_100000210414 [0,1,0,0,0,0|3,0,0]=4 70 B17R2.6128 CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 527a_100015206438_100000210414 [0,1,0,0,0,0|3,0,0]=4 71 B17R2.6128 CCC(C)NC(C)c1cc2ccccc2s1 269862a_100000209981_100011216072 [0,1,0,0,0,0|2,0,1]=4 72 B17R2.6128 CNC(=O)CN(C)c1nc2ccccc2s1 27a_100000189611_100000751744 [0,1,0,0,0,0|3,0,0]=4 73 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 2708a_100000213967_106832991635 [0,1,0,0,0,0|1,0,0]=2 74 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 2708a_100102657272_100000213967 [0,1,0,0,0,0|1,0,0]=2 75 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 273464a_100000213967_100102657272 [0,1,0,0,0,0|1,0,0]=2 76 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 273464a_100102657272_100000213967 [0,1,0,0,0,0|1,0,0]=2 77 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 512a_100000213967_100102657272 [0,1,0,0,0,0|1,0,0]=2 78 B17R2.6128 CNC(=O)NC(C)c1nc2ccccc2s1 512a_106832991638_100000213967 [0,1,0,0,0,0|1,0,0]=2 79 B17R2.6128 CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 2708a_100015206438_106832991635 [0,1,0,0,0,0|2,0,0]=3 80 B17R2.6128 CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 2708a_100102657272_100015206438 [0,1,0,0,0,0|2,0,0]=3 81 B17R2.6128 CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 273464a_100015206438_100102657272 [0,1,0,0,0,0|2,0,0]=3 82 B17R2.6128 CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 273464a_100102657272_100015206438 [0,1,0,0,0,0|2,0,0]=3 83 B17R2.6128 C[C@H](NC(=O)CO)c1nc2ccccc2[nH]1 240690a_100015206438_100000210174 [0,1,0,0,0,0|3,0,0]=4 84 B17R2.6128 C[C@H](NC(=O)CO)c1nc2ccccc2[nH]1 527a_100015206438_100000210174 [0,1,0,0,0,0|3,0,0]=4 85 B17R2.37534 CN(CC(=O)N)c1nc2c(cccc2s1)F 27a_100000739694_100010008856 [0,1,0,0,0,0|3,0,0]=4 86 B17R2.37534 Cc1cccc2c1nc(s2)N(C)CC(=O)N 27a_100000739694_100010008827 [0,1,0,0,0,0|3,0,0]=4 87 B17R2.45609 CC(NS(=O)(=O)C)c1nc2ccccc2s1 40a_100000213967_100000738038 [0,1,0,0,0,0|3,0,0]=4 88 B17R2.186301 CN(CC(=O)N)c1nc2cc(ccc2s1)F 27a_100000739694_200010206605 [0,1,0,0,0,0|3,0,0]=4 89 B17R2.186301 CN(CC(=O)N)c1nc2cc(ccc2s1)N 27a_100000739694_100010329861 [0,1,0,0,0,0|3,0,0]=4 90 B17R2.186301 CN(CC(=O)N)c1nc2ccc(cc2s1)F 27a_100000739694_100000751617 [0,1,0,0,0,0|3,0,0]=4 91 B17R2.186301 CN(CC(=O)N)c1nc2ccc(cc2s1)N 27a_100000739694_100010253933 [0,1,0,0,0,0|3,0,0]=4 92 B17R2.186301 CN(CC(=O)N)c1nc2ccc(cc2s1)O 27a_100000739694_100010063415 [0,1,0,0,0,0|3,0,0]=4 93 B17R2.186301 Cc1ccc2nc(sc2c1)N(C)CC(=O)N 27a_100000739694_100010186437 [0,1,0,0,0,0|3,0,0]=4 94 B15R1.496 CC(=O)NC(C)C(=O)Nc1ccccc1 11a_100000754830_100015343762 [0,0,1,0,0,0|2,1,0]=4 95 B15R1.496 CC(=O)NC(C)C(=O)Nc1ccccc1 1626a_100000754830_100015343762 [0,0,1,0,0,0|2,1,0]=4 96 B15R1.496 CC(=O)NC(C)C(=O)Nc1ccccc1 240690a_100000754830_100015343762 [0,0,1,0,0,0|2,1,0]=4 97 B15R1.496 CC(=O)NC(C)C(=O)Nc1ccccc1 527a_100000754830_100103153847 [0,0,1,0,0,0|2,1,0]=4 98 B15R1.496 CC(=O)N[C@H](C)C(=O)Cc1ccccc1 1458a_100011504603_100015291786 [0,0,1,0,0,0|1,1,1]=4 99 B15R1.496 CC(=O)N[C@H](C)C(=O)Nc1ccccc1 11a_100000106764_100011504603 [0,0,1,0,0,0|2,1,0]=4 100 B15R1.496 CC(=O)N[C@H](C)C(=O)Nc1ccccc1 1626a_100000106764_100011504603 [0,0,1,0,0,0|2,1,0]=4 101 B15R1.496 CC(=O)N[C@H](C)C(=O)Nc1ccccc1 22a_100000106764_100011504603 [0,0,1,0,0,0|2,1,0]=4 102 B15R1.496 CC(=O)N[C@H](C)C(=O)Nc1ccccc1 527a_100000106764_100011504603 [0,0,1,0,0,0|2,1,0]=4 103 B17R3.17530 O=C1C=C(CC1)c2cc3ccccc3s2 271570a_100010737933_100009816949 [0,0,0,1,0,0|2,0,1]=4 104 B17R3.17530 O=C1CN(CN1)c2nc3ccccc3s2 27a_200000708111_100000751744 [0,0,0,1,0,0|3,0,0]=4 105 B15R2.4244 CC(=C(C)c1cc2ccccc2s1)C 271570a_200000049429_100009816949 [0,0,0,0,1,0|2,0,1]=4 106 B15R2.4244 CC(C(=O)N)N1Cc2ccccc2C1 2230a_100000752595_100000702099 [0,0,0,0,1,0|2,0,1]=4 107 B15R2.4244 CC(C(=O)N)N1Cc2ccccc2C1 269982a_100000752595_100000184083 [0,0,0,0,1,0|2,0,1]=4 108 B15R2.4244 CC(C(=O)N)N1Cc2ccccc2C1 34a_100000752595_100000702099 [0,0,0,0,1,0|2,0,1]=4 109 B17R2.10110 C=C(C)CNC(C)c1nc2ccccc2s1 2230a_100000213967_100000748629 [0,0,0,0,0,1|3,0,0]=4 110 B17R2.10110 C=C(F)CNC(C)c1nc2ccccc2s1 2230a_100000213967_100009893438 [0,0,0,0,0,1|3,0,0]=4 111 B17R2.10110 CC(=O)NN=C(C)c1cc2ccccc2[nH]1 4a_100000189765_100000696822 [0,0,0,0,0,1|2,0,1]=4 112 B17R2.10110 CC(=O)NN=C(C)c1cc2ccccc2o1 4a_100000189765_100000185295 [0,0,0,0,0,1|1,1,1]=4 113 B17R2.10110 CC(=O)NN=C(C)c1cc2ccccc2s1 4a_100000189765_100011216072 [0,0,0,0,0,1|1,0,1]=3 114 B17R2.10110 CC(=O)NN=C(C)c1nc2ccccc2s1 4a_100000189765_100000186429 [0,0,0,0,0,1|2,0,1]=4 115 B17R2.10110 CC(=O)NNC(=O)c1cc2ccccc2s1 22a_100000198294_100000070787 [0,0,0,0,0,1|2,0,1]=4 116 B17R2.10110 CC(C)CNC(C)c1cc2ccccc2s1 269862a_100000210953_100011216072 [0,0,0,0,0,1|2,0,1]=4 117 B17R2.10110 CC(NCC(=O)N)c1nc2ccccc2s1 2230a_100000213967_100000747473 [0,0,0,0,0,1|1,0,0]=2 118 B17R2.10110 CC(O)CNC(C)c1cc2ccccc2s1 269862a_100000210904_100011216072 [0,0,0,0,0,1|1,0,2]=4 119 B17R2.10110 CC(OCC(=O)N)c1cc2ccccc2o1 34a_100000198572_100000187820 [0,0,0,0,0,1|1,1,0]=3 120 B17R2.10110 CC(OCC(=O)N)c1cc2ccccc2o1 7a_100000198572_100000187820 [0,0,0,0,0,1|1,1,0]=3 121 B17R2.10110 CC(OCC(=O)[O-])c1cc2ccccc2o1 34a_100000198572_100020667443 [0,0,0,0,0,1|2,1,0]=4 122 B17R2.10110 CN(CCC(=O)N)c1nc2ccccc2s1 27a_100000730477_100000751744 [0,0,0,0,0,1|3,0,0]=4 123 B17R2.10110 C[C@H](NCC(=O)N)c1nc2ccccc2[nH]1 2230a_100015206438_100000747473 [0,0,0,0,0,1|2,0,0]=3 124 B17R2.10110 NC(=O)CNC(=O)C1=Cc2ccccc2C1 11a_100000711301_100009862756 [0,0,0,0,0,1|2,0,1]=4 125 B17R2.10110 NC(=O)CNC(=O)C1=Cc2ccccc2C1 240690a_100000711301_100009862756 [0,0,0,0,0,1|2,0,1]=4 126 B17R2.18954 CC(=O)OC(C)Sc1cc2ccccc2[nH]1 62a_100009818208_100010232065 [0,0,0,0,0,1|3,0,0]=4 127 B17R2.18954 CC(=O)OC(C)Sc1cc2ccccc2o1 62a_100009818208_100010159458 [0,0,0,0,0,1|2,1,0]=4 128 B17R2.18954 CC(=O)OC(C)Sc1cc2ccccc2s1 62a_100009818208_100009816949 [0,0,0,0,0,1|2,0,0]=3 129 B17R2.18954 CC(=O)OC(C)Sc1nc2ccccc2s1 62a_100009818208_100000751744 [0,0,0,0,0,1|3,0,0]=4 130 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2[nH]1 2230a_100000685833_100000747473 [0,0,0,0,0,1|3,0,0]=4 131 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2[nH]1 269982a_100000685833_100000187820 [0,0,0,0,0,1|3,0,0]=4 132 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2[nH]1 270004a_100000739694_100000051030 [0,0,0,0,0,1|3,0,0]=4 133 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2o1 270004a_100000739694_100000229944 [0,0,0,0,0,1|2,1,0]=4 134 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2s1 2230a_100015183267_100000747473 [0,0,0,0,0,1|2,0,0]=3 135 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2s1 269982a_100015183267_100000187820 [0,0,0,0,0,1|2,0,0]=3 136 B17R2.18954 CN(CC(=O)N)Cc1cc2ccccc2s1 270004a_100000739694_100000686906 [0,0,0,0,0,1|2,0,0]=3 137 B17R2.18954 CN(CC(=O)N)Cc1cc2cccnc2s1 270004a_100000739694_100000050461 [0,0,0,0,0,1|3,0,0]=4 138 B17R2.18954 CN(CC(=O)N)Cc1cc2cnccc2s1 270004a_100000739694_100000054438 [0,0,0,0,0,1|3,0,0]=4 139 B17R2.18954 CN(CC(=O)N)Cc1nc2ccccc2s1 2230a_100000204650_100000747473 [0,0,0,0,0,1|3,0,0]=4 140 B17R2.18954 CN(CC(=O)N)Cc1nc2ccccc2s1 2230a_100000739694_100000766747 [0,0,0,0,0,1|3,0,0]=4 141 B17R2.18954 CN(CC(=O)N)Cc1nc2ccccc2s1 269982a_100000204650_100000187820 [0,0,0,0,0,1|3,0,0]=4 142 B17R2.18954 CN(CC(=O)N)Cc1nc2ccccc2s1 270004a_100000739694_100011204187 [0,0,0,0,0,1|3,0,0]=4 143 B17R2.18954 CN(CC(=O)[O-])Cc1cc2ccccc2s1 269982a_100015183267_100020667443 [0,0,0,0,0,1|3,0,0]=4 144 B17R2.18954 NC(=O)CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_100000187820 [0,0,0,0,0,1|2,0,1]=4 145 B17R2.18967 CC(=O)NC(C)c1ccc2ccccc2c1 11a_100000737073_100015343762 [0,0,0,0,0,1|2,0,0]=3 146 B17R2.18967 CC(=O)NC(C)c1ccc2ccccc2c1 1626a_100000737073_100015343762 [0,0,0,0,0,1|2,0,0]=3 147 B17R2.18967 CC(=O)NC(C)c1ccc2ccccc2c1 240690a_100000737073_100015343762 [0,0,0,0,0,1|2,0,0]=3 148 B17R2.18967 CC(=O)NC(C)c1ccc2ccccc2c1 527a_100000737073_100103153847 [0,0,0,0,0,1|2,0,0]=3 149 B17R2.18967 CN(CC(=O)N)c1ccc2ccccc2c1 2230a_100000181211_100000747473 [0,0,0,0,0,1|3,0,0]=4 150 B17R2.18967 CN(CC(=O)N)c1ccc2ccccc2c1 269982a_100000181211_100000187820 [0,0,0,0,0,1|3,0,0]=4 151 B17R2.18967 CN(CC(=O)N)c1ccc2ccccc2c1 34a_100000181211_100000187820 [0,0,0,0,0,1|3,0,0]=4 152 B17R2.18967 CN(CC(=O)N)c1ccc2ccccc2n1 27a_100000739694_100011291633 [0,0,0,0,0,1|3,0,0]=4 153 B17R2.18967 CN(CC(=O)N)c1cnc2ccccc2n1 27a_100000739694_100000756483 [0,0,0,0,0,1|3,0,0]=4 154 B17R2.18967 CN(CC(=O)N)c1ncc2ccccc2n1 27a_100000739694_100000097389 [0,0,0,0,0,1|3,0,0]=4 155 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_100000210755_200000034859 [1,0,1,0,0,0|0,0,2]=4 156 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_200000034859_100000210755 [1,0,1,0,0,0|0,0,2]=4 157 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_100000695589_200000034859 [1,0,1,0,0,0|1,0,1]=4 158 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_200000034859_100000695589 [1,0,1,0,0,0|1,0,1]=4 159 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_100000764095_200000034859 [1,0,1,0,0,0|1,0,1]=4 160 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_200000034859_100000764095 [1,0,1,0,0,0|1,0,1]=4 161 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_100011215700_200000034859 [1,0,1,0,0,0|1,0,1]=4 162 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_200000034859_100011215700 [1,0,1,0,0,0|1,0,1]=4 163 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_100000210017_200000034859 [1,0,1,0,0,0|1,0,1]=4 164 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_200000034859_100000210017 [1,0,1,0,0,0|1,0,1]=4 165 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_100000739446_200000034859 [1,0,1,0,0,0|1,0,1]=4 166 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_200000034859_100000739446 [1,0,1,0,0,0|1,0,1]=4 167 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [1,0,1,0,0,0|0,1,1]=4 168 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000184981 [1,0,1,0,0,0|1,1,0]=4 169 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000184981 [1,0,1,0,0,0|1,1,0]=4 170 B14R2.67 CCNCc1cc2ccccc2s1 207a_100015525214_100000686906 [2,0,0,0,0,0|1,0,1]=4 171 B14R2.67 CCNCc1cc2ccccc2s1 2230a_100015187092_100000210202 [2,0,0,0,0,0|1,0,1]=4 172 B14R2.67 CCNCc1cc2ccccc2s1 270004a_100015525214_100000686906 [2,0,0,0,0,0|1,0,1]=4 173 B14R2.67 O=CCSc1cc2ccccc2s1 62a_200015260668_100009816949 [2,0,0,0,0,0|2,0,0]=4 174 B14R2.972 CC(N[13CH3])c1nc2ccccc2s1 2230a_100000213967_200025704644 [2,0,0,0,0,0|1,0,1]=4 175 B14R2.972 CNC(C)c1cc2ccccc2[nH]1 269862a_106832991636_100000696822 [2,0,0,0,0,0|1,0,1]=4 176 B14R2.972 CNC(C)c1cc2ccccc2o1 269862a_106832991636_100000185295 [2,0,0,0,0,0|0,1,1]=4 177 B14R2.972 CNC(C)c1cc2ccccc2s1 269862a_106832991636_100011216072 [2,0,0,0,0,0|0,0,1]=3 178 B14R2.972 CNC(C)c1nc2ccccc2s1 2230a_100000213967_200000210301 [2,0,0,0,0,0|1,0,1]=4 179 B16R1.619 CCC(NC(=O)N)C(=O)Cc1ccccc1 1458a_100000203762_100015291786 [0,1,1,0,0,0|0,1,1]=4 180 B16R1.619 CCC(NC(=O)N)C(=O)Nc1ccccc1 22a_100000106764_100000203762 [0,1,1,0,0,0|1,1,0]=4 181 B16R1.1127 CNC(=O)NC(C)C(=O)Nc1ccccc1 2708a_100102657272_100000754830 [0,1,1,0,0,0|1,1,0]=4 182 B16R1.1127 CNC(=O)NC(C)C(=O)Nc1ccccc1 273464a_100102657272_100000754830 [0,1,1,0,0,0|1,1,0]=4 183 B16R1.1127 CNC(=O)NC(C)C(=O)Nc1ccccc1 512a_100000754830_100102657272 [0,1,1,0,0,0|1,1,0]=4 184 B16R1.1127 CNC(=O)NC(C)C(=O)Nc1ccccc1 512a_106832991638_100000754830 [0,1,1,0,0,0|1,1,0]=4 185 B16R2.757 CCNC(C)c1sc2ccccc2c1C 269862a_100015525214_100000217036 [1,1,0,0,0,0|1,0,1]=4 186 B16R2.2128 C=CCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000210623 [1,1,0,0,0,0|2,0,0]=4 187 B16R2.2128 CC(NCC=O)c1nc2ccccc2s1 2230a_100000213967_200015260668 [1,1,0,0,0,0|1,0,0]=3 188 B16R2.2128 CC(NCCF)c1cc2ccccc2s1 269862a_100000724931_100011216072 [1,1,0,0,0,0|1,0,1]=4 189 B16R2.2128 CC(NCCO)c1cc2ccccc2s1 269862a_100000210304_100011216072 [1,1,0,0,0,0|0,0,2]=4 190 B16R2.2128 CC(OCC=O)c1cc2ccccc2o1 34a_100000198572_200009817547 [1,1,0,0,0,0|1,1,0]=4 191 B16R2.2128 CC(OCC=O)c1cc2ccccc2o1 7a_100000198572_200015260668 [1,1,0,0,0,0|1,1,0]=4 192 B16R2.2128 CCCNC(C)c1cc2ccccc2s1 269862a_100020643023_100011216072 [1,1,0,0,0,0|1,0,1]=4 193 B16R2.2128 C[C@H](NCC=O)c1nc2ccccc2[nH]1 2230a_100015206438_200015260668 [1,1,0,0,0,0|2,0,0]=4 194 B16R2.1181 C=CC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_200121576911 [1,1,0,0,0,0|2,0,0]=4 195 B16R2.1181 C=CC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100000185746 [1,1,0,0,0,0|1,1,0]=4 196 B16R2.1181 C=CC(=O)NCc1cc2ccccc2o1 240690a_100011220112_200121576911 [1,1,0,0,0,0|1,1,0]=4 197 B16R2.1181 C=CC(=O)NCc1cc2ccccc2s1 1626a_100015187092_100000185746 [1,1,0,0,0,0|1,0,0]=3 198 B16R2.1181 C=CC(=O)NCc1cc2ccccc2s1 240690a_100015187092_200121576911 [1,1,0,0,0,0|1,0,0]=3 199 B16R2.1181 C=CC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000185746 [1,1,0,0,0,0|2,0,0]=4 200 B16R2.1181 C=CC(=O)NCc1nc2ccccc2s1 240690a_100000174905_200121576911 [1,1,0,0,0,0|2,0,0]=4 201 B16R2.1181 CCC(=O)CCc1cc2ccccc2s1 1458a_200000069995_100000210202 [1,1,0,0,0,0|2,0,0]=4 202 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 11a_100015204011_100000210414 [1,1,0,0,0,0|2,0,0]=4 203 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_100000210414 [1,1,0,0,0,0|2,0,0]=4 204 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 527a_100015204011_100000210414 [1,1,0,0,0,0|2,0,0]=4 205 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 11a_100011220112_100000210414 [1,1,0,0,0,0|1,1,0]=4 206 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100000210414 [1,1,0,0,0,0|1,1,0]=4 207 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100000210414 [1,1,0,0,0,0|1,1,0]=4 208 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 527a_100011220112_100000210414 [1,1,0,0,0,0|1,1,0]=4 209 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 1626a_100015187092_100000210414 [1,1,0,0,0,0|1,0,0]=3 210 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 240690a_100015187092_100000210414 [1,1,0,0,0,0|1,0,0]=3 211 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 527a_100015187092_100000210414 [1,1,0,0,0,0|1,0,0]=3 212 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000210414 [1,1,0,0,0,0|2,0,0]=4 213 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000210414 [1,1,0,0,0,0|2,0,0]=4 214 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000210414 [1,1,0,0,0,0|2,0,0]=4 215 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000210414 [1,1,0,0,0,0|2,0,0]=4 216 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 11a_106832991635_200000069995 [1,1,0,0,0,0|1,0,0]=3 217 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 1626a_100102657272_200000069995 [1,1,0,0,0,0|1,0,0]=3 218 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 240690a_100102657272_200000069995 [1,1,0,0,0,0|1,0,0]=3 219 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 527a_100102657272_200000069995 [1,1,0,0,0,0|1,0,0]=3 220 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 11a_106832991635_100000182949 [1,1,0,0,0,0|2,0,0]=4 221 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 240690a_100102657272_100000182949 [1,1,0,0,0,0|2,0,0]=4 222 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 527a_100102657272_100000182949 [1,1,0,0,0,0|2,0,0]=4 223 B16R2.1181 CNC(=O)CSc1cc2ccccc2s1 62a_100000183359_100009816949 [1,1,0,0,0,0|2,0,0]=4 224 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 2708a_100015204011_106832991635 [1,1,0,0,0,0|1,0,0]=3 225 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 2708a_100102657272_100015204011 [1,1,0,0,0,0|1,0,0]=3 226 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 273464a_100102657272_100015204011 [1,1,0,0,0,0|1,0,0]=3 227 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 512a_106832991638_100015204011 [1,1,0,0,0,0|1,0,0]=3 228 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 2708a_100011220112_106832991635 [1,1,0,0,0,0|0,1,0]=3 229 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 2708a_100102657272_100011220112 [1,1,0,0,0,0|0,1,0]=3 230 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 273464a_100011220112_100102657272 [1,1,0,0,0,0|0,1,0]=3 231 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 273464a_100102657272_100011220112 [1,1,0,0,0,0|0,1,0]=3 232 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 512a_100011220112_100102657272 [1,1,0,0,0,0|0,1,0]=3 233 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 512a_106832991638_100011220112 [1,1,0,0,0,0|0,1,0]=3 234 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 2708a_100015187092_106832991635 [1,1,0,0,0,0|0,0,0]=2 235 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 2708a_100102657272_100015187092 [1,1,0,0,0,0|0,0,0]=2 236 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 273464a_100015187092_100102657272 [1,1,0,0,0,0|0,0,0]=2 237 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 273464a_100102657272_100015187092 [1,1,0,0,0,0|0,0,0]=2 238 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 512a_100015187092_100102657272 [1,1,0,0,0,0|0,0,0]=2 239 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 512a_106832991638_100015187092 [1,1,0,0,0,0|0,0,0]=2 240 B16R2.1181 CNC(=O)NCc1cc2ccncc2[nH]1 2708a_100025703164_106832991635 [1,1,0,0,0,0|2,0,0]=4 241 B16R2.1181 CNC(=O)NCc1cc2ccncc2[nH]1 2708a_100102657272_100025703164 [1,1,0,0,0,0|2,0,0]=4 242 B16R2.1181 CNC(=O)NCc1cc2ccncc2[nH]1 273464a_100102657272_100025703164 [1,1,0,0,0,0|2,0,0]=4 243 B16R2.1181 CNC(=O)NCc1cc2ccncc2[nH]1 512a_100025703164_100102657272 [1,1,0,0,0,0|2,0,0]=4 244 B16R2.1181 CNC(=O)NCc1cc2ccncc2[nH]1 512a_106832991638_100025703164 [1,1,0,0,0,0|2,0,0]=4 245 B16R2.1181 CNC(=O)NCc1cc2cnccc2[nH]1 2708a_100025703177_106832991635 [1,1,0,0,0,0|2,0,0]=4 246 B16R2.1181 CNC(=O)NCc1cc2cnccc2[nH]1 2708a_100102657272_100025703177 [1,1,0,0,0,0|2,0,0]=4 247 B16R2.1181 CNC(=O)NCc1cc2cnccc2[nH]1 273464a_100102657272_100025703177 [1,1,0,0,0,0|2,0,0]=4 248 B16R2.1181 CNC(=O)NCc1cc2cnccc2[nH]1 512a_100025703177_100102657272 [1,1,0,0,0,0|2,0,0]=4 249 B16R2.1181 CNC(=O)NCc1cc2cnccc2[nH]1 512a_106832991638_100025703177 [1,1,0,0,0,0|2,0,0]=4 250 B16R2.1181 CNC(=O)NCc1cn2ccccc2n1 2708a_100000195574_106832991635 [1,1,0,0,0,0|2,0,0]=4 251 B16R2.1181 CNC(=O)NCc1cn2ccccc2n1 2708a_100102657272_100000195574 [1,1,0,0,0,0|2,0,0]=4 252 B16R2.1181 CNC(=O)NCc1cn2ccccc2n1 273464a_100000195574_100102657272 [1,1,0,0,0,0|2,0,0]=4 253 B16R2.1181 CNC(=O)NCc1cn2ccccc2n1 273464a_100102657272_100000195574 [1,1,0,0,0,0|2,0,0]=4 254 B16R2.1181 CNC(=O)NCc1cn2ccccc2n1 512a_106832991638_100000195574 [1,1,0,0,0,0|2,0,0]=4 255 B16R2.1181 CNC(=O)NCc1nc2ccccc2[nH]1 2708a_100000729406_106832991635 [1,1,0,0,0,0|2,0,0]=4 256 B16R2.1181 CNC(=O)NCc1nc2ccccc2[nH]1 2708a_100102657272_100000729406 [1,1,0,0,0,0|2,0,0]=4 257 B16R2.1181 CNC(=O)NCc1nc2ccccc2[nH]1 273464a_100000729406_100102657272 [1,1,0,0,0,0|2,0,0]=4 258 B16R2.1181 CNC(=O)NCc1nc2ccccc2[nH]1 273464a_100102657272_100000729406 [1,1,0,0,0,0|2,0,0]=4 259 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 2708a_100000733820_106832991635 [1,1,0,0,0,0|1,1,0]=4 260 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 2708a_100102657272_100000733820 [1,1,0,0,0,0|1,1,0]=4 261 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 273464a_100000733820_100102657272 [1,1,0,0,0,0|1,1,0]=4 262 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 273464a_100102657272_100000733820 [1,1,0,0,0,0|1,1,0]=4 263 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 512a_100000733820_100102657272 [1,1,0,0,0,0|1,1,0]=4 264 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 512a_106832991638_100000733820 [1,1,0,0,0,0|1,1,0]=4 265 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 2708a_100000174905_106832991635 [1,1,0,0,0,0|1,0,0]=3 266 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 2708a_100102657272_100000174905 [1,1,0,0,0,0|1,0,0]=3 267 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 273464a_100000174905_100102657272 [1,1,0,0,0,0|1,0,0]=3 268 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 273464a_100102657272_100000174905 [1,1,0,0,0,0|1,0,0]=3 269 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 512a_100000174905_100102657272 [1,1,0,0,0,0|1,0,0]=3 270 B16R2.1181 CNC(=O)NCc1nc2ccccc2s1 512a_106832991638_100000174905 [1,1,0,0,0,0|1,0,0]=3 271 B16R2.1181 CNC(=O)NNc1nc2ccccc2s1 273464a_100102657272_100000181811 [1,1,0,0,0,0|2,0,0]=4 272 B16R2.1181 O=C(CF)CCc1cc2ccccc2s1 1458a_200000069995_100015361967 [1,1,0,0,0,0|2,0,0]=4 273 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 240690a_100015204011_100000210174 [1,1,0,0,0,0|2,0,0]=4 274 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 527a_100015204011_100000210174 [1,1,0,0,0,0|2,0,0]=4 275 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 240690a_100011220112_100000210174 [1,1,0,0,0,0|1,1,0]=4 276 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 527a_100011220112_100000210174 [1,1,0,0,0,0|1,1,0]=4 277 B16R2.1181 O=C(CO)NCc1cc2ccccc2s1 240690a_100015187092_100000210174 [1,1,0,0,0,0|1,0,0]=3 278 B16R2.1181 O=C(CO)NCc1cc2ccccc2s1 527a_100015187092_100000210174 [1,1,0,0,0,0|1,0,0]=3 279 B16R2.1181 O=C(CO)NCc1nc2ccccc2s1 240690a_100000174905_100000210174 [1,1,0,0,0,0|2,0,0]=4 280 B16R2.1181 O=C(CO)NCc1nc2ccccc2s1 527a_100000174905_100000210174 [1,1,0,0,0,0|2,0,0]=4 281 B16R2.3356 CC(=O)NCc1cc2ccccc2n1C 11a_100011934526_100015343762 [1,1,0,0,0,0|2,0,0]=4 282 B16R2.3356 CC(=O)NCc1cc2ccccc2n1C 1626a_100011934526_100015343762 [1,1,0,0,0,0|2,0,0]=4 283 B16R2.3356 CC(=O)NCc1cc2ccccc2n1C 240690a_100011934526_100015343762 [1,1,0,0,0,0|2,0,0]=4 284 B16R2.3356 CC(=O)NCc1cc2ccccc2n1C 527a_100011934526_100103153847 [1,1,0,0,0,0|2,0,0]=4 285 B16R2.3356 CC(=O)NCc1oc2ccccc2c1C 11a_100153394726_100015343762 [1,1,0,0,0,0|1,1,0]=4 286 B16R2.3356 CC(=O)NCc1oc2ccccc2c1C 1626a_100153394726_100015343762 [1,1,0,0,0,0|1,1,0]=4 287 B16R2.3356 CC(=O)NCc1oc2ccccc2c1C 240690a_100153394726_100015343762 [1,1,0,0,0,0|1,1,0]=4 288 B16R2.3356 CC(=O)NCc1oc2ccccc2c1C 527a_100153394726_100103153847 [1,1,0,0,0,0|1,1,0]=4 289 B16R2.3356 CC(=O)NCc1sc2ccccc2c1Cl 11a_200015185765_100015343762 [1,1,0,0,0,0|1,0,0]=3 290 B16R2.3356 CC(=O)NCc1sc2ccccc2c1Cl 1626a_200015185765_100015343762 [1,1,0,0,0,0|1,0,0]=3 291 B16R2.3356 CC(=O)NCc1sc2ccccc2c1Cl 240690a_200015185765_100015343762 [1,1,0,0,0,0|1,0,0]=3 292 B16R2.3356 CC(=O)NCc1sc2ccccc2c1Cl 527a_200015185765_100103153847 [1,1,0,0,0,0|1,0,0]=3 293 B16R2.3356 Cc1c(sc2c1cccc2)SCC(=O)N 62a_100000747473_200010198769 [1,1,0,0,0,0|2,0,0]=4 294 B16R2.3356 NC(=O)CSc1sc2ccccc2c1Br 62a_100000747473_100015504031 [1,1,0,0,0,0|2,0,0]=4 295 B16R2.3356 NC(=O)CSc1sc2ccccc2c1Br 62a_100015504031_100000747473 [1,1,0,0,0,0|2,0,0]=4 296 B16R2.6271 CC(=O)N(C)Cc1cc2ccccc2[nH]1 240690a_100000685833_100015343762 [1,1,0,0,0,0|2,0,0]=4 297 B16R2.6271 CC(=O)N(C)Cc1cc2ccccc2[nH]1 527a_100000685833_100103153847 [1,1,0,0,0,0|2,0,0]=4 298 B16R2.6271 CC(=O)N(C)Cc1cc2ccccc2s1 240690a_100015183267_100015343762 [1,1,0,0,0,0|1,0,0]=3 299 B16R2.6271 CC(=O)N(C)Cc1cc2ccccc2s1 527a_100015183267_100103153847 [1,1,0,0,0,0|1,0,0]=3 300 B16R2.6271 CC(=O)N(C)Cc1nc2ccccc2s1 11a_100000204650_100015343762 [1,1,0,0,0,0|2,0,0]=4 301 B16R2.6271 CC(=O)N(C)Cc1nc2ccccc2s1 1626a_100000204650_100015343762 [1,1,0,0,0,0|2,0,0]=4 302 B16R2.6271 CC(=O)N(C)Cc1nc2ccccc2s1 240690a_100000204650_100015343762 [1,1,0,0,0,0|2,0,0]=4 303 B16R2.6271 CC(=O)N(C)Cc1nc2ccccc2s1 527a_100000204650_100103153847 [1,1,0,0,0,0|2,0,0]=4 304 B16R2.6271 CC(Sc1cc2ccccc2s1)C(=O)N 62a_100000702099_100009816949 [1,1,0,0,0,0|2,0,0]=4 305 B16R2.6271 NC(=O)C(F)Sc1cc2ccccc2s1 62a_100009813875_100009816949 [1,1,0,0,0,0|2,0,0]=4 306 B16R2.6707 CS(=O)(=O)NCc1cc2ccccc2s1 40a_100015187092_100000738038 [1,1,0,0,0,0|2,0,0]=4 307 B16R2.12099 CC(=O)NCc1cc2cc(ccc2[nH]1)Cl 11a_100000217048_100015343762 [1,1,0,0,0,0|2,0,0]=4 308 B16R2.12099 CC(=O)NCc1cc2cc(ccc2[nH]1)Cl 240690a_100000217048_100015343762 [1,1,0,0,0,0|2,0,0]=4 309 B16R2.12099 CC(=O)NCc1cc2cc(ccc2[nH]1)Cl 527a_100000217048_100103153847 [1,1,0,0,0,0|2,0,0]=4 310 B16R2.12099 NC(=O)CSc1cc2cc(ccc2s1)Br 62a_100000747473_200010198765 [1,1,0,0,0,0|2,0,0]=4 311 B16R2.12099 NC(=O)CSc1cc2cc(ccc2s1)Br 62a_200010198765_100000747473 [1,1,0,0,0,0|2,0,0]=4 312 B18R2.4836 CC(=O)NN=C(C)c1sc2ccccc2c1C 4a_100000189765_100000217036 [0,1,0,0,0,1|1,0,1]=4 313 B18R2.33116 CCC(=O)NN=C(C)c1cc2ccccc2s1 4a_100000183195_100011216072 [0,1,0,0,0,1|1,0,1]=4 314 B18R2.33116 CNC(=O)CNC(C)c1cc2ccccc2[nH]1 269862a_100000693194_100000696822 [0,1,0,0,0,1|1,0,0]=3 315 B18R2.33116 CNC(=O)CNC(C)c1cc2ccccc2o1 269862a_100000693194_100000185295 [0,1,0,0,0,1|0,1,0]=3 316 B18R2.33116 CNC(=O)CNC(C)c1cc2ccccc2s1 269862a_100000693194_100011216072 [0,1,0,0,0,1|0,0,0]=2 317 B18R2.33116 CNC(=O)CNC(C)c1cc2ccccn2c1 269862a_100000693194_200000069729 [0,1,0,0,0,1|2,0,0]=4 318 B18R2.33116 CNC(=O)CNC(C)c1nc2ccccc2[nH]1 270004a_100000693194_100000199114 [0,1,0,0,0,1|2,0,0]=4 319 B18R2.33116 CNC(=O)CNC(C)c1nc2ccccc2s1 2230a_100000213967_100000183359 [0,1,0,0,0,1|1,0,0]=3 320 B18R2.33116 CNC(=O)CN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_100000183359 [0,1,0,0,0,1|2,0,0]=4 321 B18R2.33116 CNC(=O)COC(C)c1cc2ccccc2o1 34a_100000198572_100000183359 [0,1,0,0,0,1|1,1,0]=4 322 B18R2.33116 CNC(=O)COC(C)c1cc2ccccc2o1 7a_100000198572_100000183359 [0,1,0,0,0,1|1,1,0]=4 323 B18R2.33116 CNC(=O)NNC(=O)c1cc2ccccc2s1 273464a_100102657272_100000198294 [0,1,0,0,0,1|1,0,1]=4 324 B18R2.33116 COC(=O)CNC(C)c1nc2ccccc2s1 2230a_100000213967_100000747449 [0,1,0,0,0,1|2,0,0]=4 325 B18R2.71503 CC(=O)C(C)NC(C)c1nc2ccccc2s1 2230a_100000213967_100009814033 [0,1,0,0,0,1|2,0,0]=4 326 B18R2.71503 CC(NC(=O)C(=O)N)c1nc2ccccc2s1 240690a_100000213967_100011215815 [0,1,0,0,0,1|1,0,0]=3 327 B18R2.71503 CC(NC(C)c1nc2ccccc2s1)C(=O)N 2230a_100000213967_100000702099 [0,1,0,0,0,1|1,0,0]=3 328 B18R2.71503 CC(NC(F)C(=O)N)c1nc2ccccc2s1 2230a_100000213967_100009813875 [0,1,0,0,0,1|1,0,0]=3 329 B18R2.71503 CC(N[C@@H](C)c1nc2ccccc2[nH]1)C(=O)N 2230a_100015206438_100000702099 [0,1,0,0,0,1|2,0,0]=4 330 B18R2.71503 CC(N[C@H](C)C(=O)N)c1nc2ccccc2[nH]1 270004a_100000119354_100000199114 [0,1,0,0,0,1|2,0,0]=4 331 B18R2.71503 CC(OC(C)c1cc2ccccc2o1)C(=O)N 34a_100000198572_100000702099 [0,1,0,0,0,1|1,1,0]=4 332 B18R2.71503 CC(OC(C)c1cc2ccccc2o1)C(=O)N 7a_100000198572_100000702099 [0,1,0,0,0,1|1,1,0]=4 333 B18R2.71503 CC(OC(F)C(=O)N)c1cc2ccccc2o1 34a_100000198572_100009813875 [0,1,0,0,0,1|1,1,0]=4 334 B18R2.71503 CC(OC(F)C(=O)N)c1cc2ccccc2o1 7a_100000198572_100009813875 [0,1,0,0,0,1|1,1,0]=4 335 B18R2.71503 C[C@H](NC(=O)C(=O)N)c1nc2ccccc2[nH]1 240690a_100015206438_100011215815 [0,1,0,0,0,1|2,0,0]=4 336 B18R2.71503 C[C@H](NC(F)C(=O)N)c1nc2ccccc2[nH]1 2230a_100015206438_100009813875 [0,1,0,0,0,1|2,0,0]=4 337 B18R2.71528 CC(c1nc2ccccc2[nH]1)N(C)CC(=O)N 270004a_100000739694_100000199114 [0,1,0,0,0,1|2,0,0]=4 338 B18R2.100956 NC(=O)CNS(=O)(=O)c1cc2ccccc2s1 270084a_100000711301_100000042183 [0,1,0,0,0,1|2,0,0]=4 339 B18R2.276150 CC(OCC(=O)N)c1cc2cc(ccc2o1)Br 34a_100000246534_100000187820 [0,1,0,0,0,1|1,1,0]=4 340 B18R2.276150 CC(OCC(=O)N)c1cc2cc(ccc2o1)Br 7a_100000246534_100000187820 [0,1,0,0,0,1|1,1,0]=4 341 B18R2.4838 CC(=O)OC(C)Sc1sc2ccccc2c1Br 62a_100009818208_100015504031 [0,1,0,0,0,1|2,0,0]=4 342 B18R2.4838 CC(=O)OC(C)Sc1sc2ccccc2c1Br 62a_100015504031_100009818208 [0,1,0,0,0,1|2,0,0]=4 343 B18R2.4838 CC(=O)OC(C)Sc1sc2ccccc2c1C 62a_100009818208_200010198769 [0,1,0,0,0,1|2,0,0]=4 344 B18R2.4838 CN(CC(=O)N)Cc1sc2ccccc2c1Cl 2230a_100000739694_100000021718 [0,1,0,0,0,1|2,0,0]=4 345 B18R2.4838 CN(CC(=O)N)Cc1sc2ccccc2c1Cl 2230a_200015186408_100000747473 [0,1,0,0,0,1|2,0,0]=4 346 B18R2.4838 CN(CC(=O)N)Cc1sc2ccccc2c1Cl 269982a_200015186408_100000187820 [0,1,0,0,0,1|2,0,0]=4 347 B18R2.4838 CN(CC(=O)N)Cc1sc2ccccc2c1Cl 270004a_100000739694_100000017830 [0,1,0,0,0,1|2,0,0]=4 348 B18R2.4838 Cc1c(sc2c1cccc2)CN(C)CC(=O)N 270004a_100000739694_100000038699 [0,1,0,0,0,1|2,0,0]=4 349 B18R2.7995 CNC(=O)CN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000183359 [0,1,0,0,0,1|2,0,0]=4 350 B18R2.7995 CNC(=O)CN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000183359 [0,1,0,0,0,1|2,0,0]=4 351 B18R2.7995 CNC(=O)CN(C)Cc1cc2ccccc2s1 270004a_100000189611_100000686906 [0,1,0,0,0,1|2,0,0]=4 352 B18R2.7995 COC(=O)CC(C)Sc1cc2ccccc2s1 62a_100009817358_100009816949 [0,1,0,0,0,1|2,0,0]=4 353 B18R2.31768 CC(C(=O)N)N(C)Cc1cc2ccccc2s1 2230a_100015183267_100000702099 [0,1,0,0,0,1|2,0,0]=4 354 B18R2.31768 CC(C(=O)N)N(C)Cc1cc2ccccc2s1 269982a_100015183267_100000184083 [0,1,0,0,0,1|2,0,0]=4 355 B18R2.31768 CN(Cc1cc2ccccc2s1)C(=O)C(=O)N 240690a_100015183267_100011215815 [0,1,0,0,0,1|2,0,0]=4 356 B18R2.31768 CN(Cc1cc2ccccc2s1)C(F)C(=O)N 2230a_100015183267_100009813875 [0,1,0,0,0,1|2,0,0]=4 357 B18R2.31768 CN(Cc1cc2ccccc2s1)C(F)C(=O)N 269982a_100015183267_100009813875 [0,1,0,0,0,1|2,0,0]=4 358 B18R2.71881 CC(C)(CC(=O)N)Nc1nc2ccccc2s1 27a_100000763158_100000751744 [0,1,0,0,0,1|2,0,0]=4 359 B18R2.276174 CC(=O)OC(C)Sc1cc2cc(ccc2s1)Br 62a_100009818208_200010198765 [0,1,0,0,0,1|2,0,0]=4 360 B18R2.276174 CC(=O)OC(C)Sc1cc2cc(ccc2s1)Br 62a_200010198765_100009818208 [0,1,0,0,0,1|2,0,0]=4 361 B18R2.276174 CN(CC(=O)N)Cc1cc2cc(ccc2s1)Br 270004a_100000739694_100010238522 [0,1,0,0,0,1|2,0,0]=4 362 B18R2.276174 CN(CC(=O)N)Cc1cc2cc(ccc2s1)Cl 270004a_100000739694_200000119088 [0,1,0,0,0,1|2,0,0]=4 363 B18R2.276174 CN(CC(=O)N)Cc1cc2ccc(cc2s1)Br 270004a_100000739694_100009814784 [0,1,0,0,0,1|2,0,0]=4 364 B18R2.276174 Cc1ccc2sc(cc2c1)CN(C)CC(=O)N 270004a_100000739694_100000050833 [0,1,0,0,0,1|2,0,0]=4 365 B18R2.481407 CN(CC(=O)N)Cc1cc2c(cccc2s1)Br 270004a_100000739694_100010109917 [0,1,0,0,0,1|2,0,0]=4 366 B18R2.481407 CN(CC(=O)N)Cc1cc2c(cccc2s1)Cl 270004a_100000739694_100000117544 [0,1,0,0,0,1|2,0,0]=4 367 B18R2.481407 CN(CC(=O)N)Cc1cc2cccc(c2s1)Br 270004a_100000739694_100010110135 [0,1,0,0,0,1|2,0,0]=4 368 B18R2.8028 C=CC(=O)NC(C)c1ccc2ccccc2c1 1626a_100000737073_100000185746 [0,1,0,0,0,1|2,0,0]=4 369 B18R2.8028 C=CC(=O)NC(C)c1ccc2ccccc2c1 240690a_100000737073_200121576911 [0,1,0,0,0,1|2,0,0]=4 370 B18R2.8028 CC(NC(=O)CO)c1ccc2ccccc2c1 240690a_100000737073_100000210174 [0,1,0,0,0,1|2,0,0]=4 371 B18R2.8028 CC(NC(=O)CO)c1ccc2ccccc2c1 527a_100000737073_100000210174 [0,1,0,0,0,1|2,0,0]=4 372 B18R2.8028 CCC(=O)NC(C)c1ccc2ccccc2c1 11a_100000737073_100000210414 [0,1,0,0,0,1|2,0,0]=4 373 B18R2.8028 CCC(=O)NC(C)c1ccc2ccccc2c1 1626a_100000737073_100000210414 [0,1,0,0,0,1|2,0,0]=4 374 B18R2.8028 CCC(=O)NC(C)c1ccc2ccccc2c1 240690a_100000737073_100000210414 [0,1,0,0,0,1|2,0,0]=4 375 B18R2.8028 CCC(=O)NC(C)c1ccc2ccccc2c1 527a_100000737073_100000210414 [0,1,0,0,0,1|2,0,0]=4 376 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 2708a_100000737073_106832991635 [0,1,0,0,0,1|1,0,0]=3 377 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 2708a_100102657272_100000737073 [0,1,0,0,0,1|1,0,0]=3 378 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 273464a_100000737073_100102657272 [0,1,0,0,0,1|1,0,0]=3 379 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 273464a_100102657272_100000737073 [0,1,0,0,0,1|1,0,0]=3 380 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 512a_100000737073_100102657272 [0,1,0,0,0,1|1,0,0]=3 381 B18R2.8028 CNC(=O)NC(C)c1ccc2ccccc2c1 512a_106832991638_100000737073 [0,1,0,0,0,1|1,0,0]=3 382 B18R2.10435 CC[C@H](NC(=O)C)c1ccc2ccccc2c1 11a_100020639264_100015343762 [0,1,0,0,0,1|2,0,0]=4 383 B18R2.10435 CC[C@H](NC(=O)C)c1ccc2ccccc2c1 1626a_100020639264_100015343762 [0,1,0,0,0,1|2,0,0]=4 384 B18R2.10435 CC[C@H](NC(=O)C)c1ccc2ccccc2c1 240690a_100020639264_100015343762 [0,1,0,0,0,1|2,0,0]=4 385 B18R2.10435 CC[C@H](NC(=O)C)c1ccc2ccccc2c1 527a_100020639264_100103153847 [0,1,0,0,0,1|2,0,0]=4 386 B18R2.31781 CC(=O)N(C)C(C)c1ccc2ccccc2c1 11a_100000744356_100015343762 [0,1,0,0,0,1|2,0,0]=4 387 B18R2.31781 CC(=O)N(C)C(C)c1ccc2ccccc2c1 240690a_100000744356_100015343762 [0,1,0,0,0,1|2,0,0]=4 388 B18R2.31781 CC(=O)N(C)C(C)c1ccc2ccccc2c1 527a_100000744356_100103153847 [0,1,0,0,0,1|2,0,0]=4 389 B18R2.13082 C#CCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100011220946 [0,2,0,0,0,0|2,0,0]=4 390 B18R2.13082 C#CCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100011220946 [0,2,0,0,0,0|2,0,0]=4 391 B18R2.13082 C=CCC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000210193 [0,2,0,0,0,0|2,0,0]=4 392 B18R2.13082 C=CCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000210193 [0,2,0,0,0,0|2,0,0]=4 393 B18R2.13082 C=CCC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000210193 [0,2,0,0,0,0|2,0,0]=4 394 B18R2.13082 C=CCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100000210193 [0,2,0,0,0,0|2,0,0]=4 395 B18R2.13082 CC(NC(=O)C=CBr)c1nc2ccccc2s1 1626a_100000213967_100016273825 [0,2,0,0,0,0|2,0,0]=4 396 B18R2.13082 CC(NC(=O)C=CBr)c1nc2ccccc2s1 240690a_100000213967_100016273825 [0,2,0,0,0,0|2,0,0]=4 397 B18R2.13082 CC(NC(=O)C=CCl)c1nc2ccccc2s1 11a_100000213967_200016279998 [0,2,0,0,0,0|2,0,0]=4 398 B18R2.13082 CC(NC(=O)C=CCl)c1nc2ccccc2s1 1626a_100000213967_200016279998 [0,2,0,0,0,0|2,0,0]=4 399 B18R2.13082 CC(NC(=O)C=CCl)c1nc2ccccc2s1 240690a_100000213967_200016279998 [0,2,0,0,0,0|2,0,0]=4 400 B18R2.13082 CC(NC(=O)C=CI)c1nc2ccccc2s1 1626a_100000213967_100016256311 [0,2,0,0,0,0|2,0,0]=4 401 B18R2.13082 CC(NC(=O)CC#N)c1nc2ccccc2s1 1626a_100000213967_100051588842 [0,2,0,0,0,0|1,0,1]=4 402 B18R2.13082 CC(NC(=O)CC#N)c1nc2ccccc2s1 240690a_100000213967_100051588842 [0,2,0,0,0,0|1,0,1]=4 403 B18R2.13082 CC(NC(=O)CCO)c1nc2ccccc2s1 240690a_100000213967_100011216618 [0,2,0,0,0,0|2,0,0]=4 404 B18R2.13082 CC=CC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000210699 [0,2,0,0,0,0|2,0,0]=4 405 B18R2.13082 CC=CC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000210699 [0,2,0,0,0,0|2,0,0]=4 406 B18R2.13082 CC=CC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000210699 [0,2,0,0,0,0|2,0,0]=4 407 B18R2.13082 CCCC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000211992 [0,2,0,0,0,0|2,0,0]=4 408 B18R2.13082 CCCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000211992 [0,2,0,0,0,0|2,0,0]=4 409 B18R2.13082 CCCC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000211992 [0,2,0,0,0,0|2,0,0]=4 410 B18R2.13082 CCCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100000211992 [0,2,0,0,0,0|2,0,0]=4 411 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 2708a_100000213967_100015525214 [0,2,0,0,0,0|1,0,0]=3 412 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 2708a_100015525214_100000213967 [0,2,0,0,0,0|1,0,0]=3 413 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 273464a_100000213967_100015525214 [0,2,0,0,0,0|1,0,0]=3 414 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 273464a_100015525214_100000213967 [0,2,0,0,0,0|1,0,0]=3 415 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 512a_100000213967_100015525214 [0,2,0,0,0,0|1,0,0]=3 416 B18R2.13082 CCNC(=O)NC(C)c1nc2ccccc2s1 512a_100015525214_100000213967 [0,2,0,0,0,0|1,0,0]=3 417 B18R2.13082 CCNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 2708a_100015206438_100015525214 [0,2,0,0,0,0|2,0,0]=4 418 B18R2.13082 CCNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 2708a_100015525214_100015206438 [0,2,0,0,0,0|2,0,0]=4 419 B18R2.13082 CCNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 273464a_100015206438_100015525214 [0,2,0,0,0,0|2,0,0]=4 420 B18R2.13082 CCNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 273464a_100015525214_100015206438 [0,2,0,0,0,0|2,0,0]=4 421 B18R2.13082 CNNC(=O)NC(C)c1nc2ccccc2s1 273464a_100000213967_100016993582 [0,2,0,0,0,0|1,0,0]=3 422 B18R2.13082 CNNC(=O)NC(C)c1nc2ccccc2s1 512a_100000213967_100016993582 [0,2,0,0,0,0|1,0,0]=3 423 B18R2.13082 CNNC(=O)NC(C)c1nc2ccccc2s1 512a_100016993582_100000213967 [0,2,0,0,0,0|1,0,0]=3 424 B18R2.13082 CNNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 273464a_100015206438_100016993582 [0,2,0,0,0,0|2,0,0]=4 425 B18R2.13082 COCC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000210968 [0,2,0,0,0,0|2,0,0]=4 426 B18R2.13082 COCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000210968 [0,2,0,0,0,0|2,0,0]=4 427 B18R2.13082 COCC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000210968 [0,2,0,0,0,0|2,0,0]=4 428 B18R2.13082 COCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100000210968 [0,2,0,0,0,0|2,0,0]=4 429 B18R2.13082 CSCC(=O)NC(C)c1nc2ccccc2s1 11a_100000213967_100000184570 [0,2,0,0,0,0|2,0,0]=4 430 B18R2.13082 CSCC(=O)NC(C)c1nc2ccccc2s1 1626a_100000213967_100000184570 [0,2,0,0,0,0|2,0,0]=4 431 B18R2.13082 CSCC(=O)NC(C)c1nc2ccccc2s1 240690a_100000213967_100000184570 [0,2,0,0,0,0|2,0,0]=4 432 B18R2.13082 CSCC(=O)NC(C)c1nc2ccccc2s1 527a_100000213967_100000184570 [0,2,0,0,0,0|2,0,0]=4 433 B16R2.2843 O=C1NCC(N1)C(=O)Cc2ccccc2 1458a_100000033324_100015291786 [0,0,1,1,0,0|0,1,1]=4 434 B16R2.2843 O=C1NCC(N1)C(=O)Nc2ccccc2 11a_100000106764_100000033324 [0,0,1,1,0,0|1,1,0]=4 435 B16R2.2843 O=C1NCC(N1)C(=O)Nc2ccccc2 22a_100000106764_100000033324 [0,0,1,1,0,0|1,1,0]=4 436 B18R3.30587 O=C1CC(CN1)Nc2nc3ccccc3s2 27a_100000697751_100000751744 [0,0,0,1,0,1|2,0,0]=4 437 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 1626a_100009852730_100015343762 [0,0,0,1,0,1|2,0,0]=4 438 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 240690a_100009852730_100015343762 [0,0,0,1,0,1|2,0,0]=4 439 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 527a_100009852730_100103153847 [0,0,0,1,0,1|2,0,0]=4 440 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [1,0,0,0,1,0|1,1,0]=4 441 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [1,0,0,0,1,0|1,0,0]=3 442 B14R2.768 CC(=O)Cc1nc2ccccc2s1 1458a_100000070787_100011217541 [1,0,0,0,1,0|2,0,0]=4 443 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [1,0,0,0,1,0|1,1,0]=4 444 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [1,0,0,0,1,0|1,0,0]=3 445 B16R1.1284 CC(NCC(=O)N)C(=O)Nc1ccccc1 2230a_100000711301_100000183986 [0,0,1,0,0,1|1,1,0]=4 446 B16R1.1284 CC(NCC(=O)N)C(=O)Nc1ccccc1 2230a_100000754830_100000747473 [0,0,1,0,0,1|1,1,0]=4 447 B16R1.1284 CC(NCC(=O)N)C(=O)Nc1ccccc1 34a_100000754830_100000187820 [0,0,1,0,0,1|1,1,0]=4 448 B16R2.734 CN(CC=O)Cc1cc2ccccc2s1 2230a_100015183267_200015260668 [1,0,0,0,0,1|2,0,0]=4 449 B16R2.734 CN(CC=O)Cc1cc2ccccc2s1 269982a_100015183267_200015260668 [1,0,0,0,0,1|2,0,0]=4 450 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [1,0,0,0,0,1|2,0,0]=4 451 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [1,0,0,0,0,1|2,0,0]=4 452 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [1,0,0,0,0,1|2,0,0]=4 453 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [1,0,0,0,0,1|2,0,0]=4 454 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 11a_100015185970_100015343762 [1,0,0,0,0,1|2,0,0]=4 455 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 1626a_100015185970_100015343762 [1,0,0,0,0,1|2,0,0]=4 456 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 240690a_100015185970_100015343762 [1,0,0,0,0,1|2,0,0]=4 457 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 527a_100015185970_100103153847 [1,0,0,0,0,1|2,0,0]=4 458 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 11a_100000742225_100015343762 [1,0,0,0,0,1|2,0,0]=4 459 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 240690a_100000742225_100015343762 [1,0,0,0,0,1|2,0,0]=4 460 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 527a_100000742225_100103153847 [1,0,0,0,0,1|2,0,0]=4 461 B16R2.492 C=C(C)CNCc1cc2ccccc2s1 2230a_100015187092_100000748629 [1,0,0,0,0,1|2,0,0]=4 462 B16R2.492 C=C(F)CNCc1cc2ccccc2s1 2230a_100015187092_100009893438 [1,0,0,0,0,1|2,0,0]=4 463 B16R2.492 CC(=O)CCSc1cc2ccccc2s1 62a_100000053229_100009816949 [1,0,0,0,0,1|2,0,0]=4 464 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 11a_200000203819_100015343762 [1,0,0,0,0,1|2,0,0]=4 465 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 1626a_200000203819_100015343762 [1,0,0,0,0,1|2,0,0]=4 466 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 240690a_200000203819_100015343762 [1,0,0,0,0,1|2,0,0]=4 467 B16R2.492 CC(=O)NN=Cc1cc2ccccc2s1 4a_100000189765_100000686906 [1,0,0,0,0,1|1,0,1]=4 468 B16R2.492 CC(=O)OCSc1cc2ccccc2s1 62a_100000076356_100009816949 [1,0,0,0,0,1|2,0,0]=4 469 B16R2.492 NC(=O)CCNc1nc2ccccc2s1 27a_100000740010_100000751744 [1,0,0,0,0,1|2,0,0]=4 470 B16R2.492 NC(=O)CCSc1cc2ccccc2[nH]1 62a_100000744528_100010232065 [1,0,0,0,0,1|2,0,0]=4 471 B16R2.492 NC(=O)CCSc1cc2ccccc2o1 62a_100000744528_100010159458 [1,0,0,0,0,1|1,1,0]=4 472 B16R2.492 NC(=O)CCSc1cc2ccccc2s1 62a_100000744528_100009816949 [1,0,0,0,0,1|1,0,0]=3 473 B16R2.492 NC(=O)CCSc1nc2ccccc2s1 62a_100000744528_100000751744 [1,0,0,0,0,1|2,0,0]=4 474 B16R2.492 NC(=O)CNCc1cc2ccccc2s1 2230a_100015187092_100000747473 [1,0,0,0,0,1|0,0,0]=2 475 B16R2.492 NC(=O)CNCc1cn2ccccc2n1 2230a_100000711301_100000689847 [1,0,0,0,0,1|2,0,0]=4 476 B16R2.492 NC(=O)CNCc1nc2ccccc2[nH]1 2230a_100000711301_100000737899 [1,0,0,0,0,1|2,0,0]=4 477 B16R2.492 NC(=O)CNCc1nc2ccccc2o1 2230a_100000711301_100000195508 [1,0,0,0,0,1|1,1,0]=4 478 B16R2.492 NC(=O)CNCc1nc2ccccc2s1 2230a_100000711301_100000766747 [1,0,0,0,0,1|1,0,0]=3 479 B16R2.492 NC(=O)COCc1cc2ccccc2o1 34a_100000233474_100000187820 [1,0,0,0,0,1|1,1,0]=4 480 B16R2.492 NC(=O)COCc1cc2ccccc2o1 7a_100000233474_100000187820 [1,0,0,0,0,1|1,1,0]=4 481 B16R2.492 NC(=O)CSCc1nc2ccccc2s1 62a_100000747473_100000766747 [1,0,0,0,0,1|2,0,0]=4 482 B16R2.492 NC(=O)CSCc1nc2ccccc2s1 62a_100011217541_100000747473 [1,0,0,0,0,1|2,0,0]=4 483 B18R2.14631 CN(CCC(=O)N)Cc1cc2ccccc2s1 2230a_100015183267_100000744528 [0,0,0,0,0,2|2,0,0]=4 484 B18R2.14631 CN(CCC(=O)N)Cc1cc2ccccc2s1 269982a_100015183267_100000744528 [0,0,0,0,0,2|2,0,0]=4 485 B18R2.14631 CN(CCC(=O)N)Cc1cc2ccccc2s1 270004a_100000730477_100000686906 [0,0,0,0,0,2|2,0,0]=4 486 B18R2.14631 NC(=O)CNC(=O)Cc1cc2ccccc2s1 11a_100000711301_100012001211 [0,0,0,0,0,2|1,0,1]=4 487 B18R2.14631 NC(=O)CNC(=O)Cc1cc2ccccc2s1 240690a_100000711301_100012001211 [0,0,0,0,0,2|1,0,1]=4 488 B18R2.14644 CC(NCC(=O)N)c1ccc2ccccc2c1 2230a_100000737073_100000747473 [0,0,0,0,0,2|1,0,0]=3 489 B18R2.14644 CC(OCC(=O)N)c1ccc2ccccc2c1 34a_100011215343_100000187820 [0,0,0,0,0,2|2,0,0]=4 490 B18R2.14644 CC(OCC(=O)N)c1ccc2ccccc2c1 7a_100011215343_100000187820 [0,0,0,0,0,2|2,0,0]=4 491 B18R2.71602 CC(NCCC(=O)N)c1cc2ccccc2[nH]1 269862a_100000740010_100000696822 [0,0,0,0,0,2|1,0,0]=3 492 B18R2.71602 CC(NCCC(=O)N)c1cc2ccccc2o1 269862a_100000740010_100000185295 [0,0,0,0,0,2|0,1,0]=3 493 B18R2.71602 CC(NCCC(=O)N)c1cc2ccccc2s1 269862a_100000740010_100011216072 [0,0,0,0,0,2|0,0,0]=2 494 B18R2.71602 CC(NCCC(=O)N)c1cc2ccccn2c1 269862a_100000740010_200000069729 [0,0,0,0,0,2|2,0,0]=4 495 B18R2.71602 CC(NCCC(=O)N)c1nc2ccccc2s1 2230a_100000213967_100000744528 [0,0,0,0,0,2|1,0,0]=3 496 B18R2.71602 CC(OCCC(=O)N)c1cc2ccccc2o1 34a_100000198572_100000731001 [0,0,0,0,0,2|1,1,0]=4 497 B18R2.71602 CC(OCCC(=O)N)c1cc2ccccc2o1 7a_100000198572_100000744528 [0,0,0,0,0,2|1,1,0]=4 498 B18R2.71602 C[C@H](NCCC(=O)N)c1nc2ccccc2[nH]1 2230a_100015206438_100000744528 [0,0,0,0,0,2|2,0,0]=4 499 B18R2.71602 NC(=O)CNCC(=O)c1cc2ccccc2s1 2230a_100000711301_100012351422 [0,0,0,0,0,2|1,0,1]=4