0 B15R1.1350 C=C(C)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B15R1.1350 C=C(C)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.1350 C=C(C)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.1350 C=C(F)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100009893438 [0,0,0,0,0,0|3,0,0]=3 4 B15R1.1350 C=C(F)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100009893438 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.1350 C=C(F)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100009893438 [0,0,0,0,0,0|4,0,0]=4 6 B15R1.1350 CC(C)NC(=O)C(CO)c1ccccc1 240690a_100138425928_100011218805 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.1350 CC(C)NC(=O)C(S[13CH3])c1ccccc1 62a_100000739299_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.1350 CC(C)NC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000739299 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.1350 CCC(C(=O)CC(=O)N)c1ccccc1 1458a_100000211302_100000187820 [0,0,0,0,0,0|1,0,0]=1 10 B15R1.1350 CCC(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211302_100020667443 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.1350 CCC(C(=O)CC(C)C)c1ccccc1 1458a_100000211302_100000210624 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.1350 CCC(C(=O)CC(C)O)c1ccccc1 1458a_100000211302_100011218427 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.1350 CCC(C(=O)CC(F)F)c1ccccc1 1458a_100000211302_100011934356 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.1350 CCC(C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000211302_100000761209 [0,0,0,0,0,0|3,0,0]=3 15 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 11a_100138425928_100000211302 [0,0,0,0,0,0|2,0,1]=3 16 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000211302 [0,0,0,0,0,0|2,0,1]=3 17 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000211302 [0,0,0,0,0,0|2,0,1]=3 18 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 527a_100138425928_100000211302 [0,0,0,0,0,0|2,0,1]=3 19 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 2230a_100000737544_100000747473 [0,0,0,0,0,0|3,0,0]=3 20 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 269982a_100000737544_100000187820 [0,0,0,0,0,0|3,0,0]=3 21 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000737544_100020667443 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.1350 CCC(c1ccccn1)N(C)CC(=O)N 2230a_100011351527_100000747473 [0,0,0,0,0,0|4,0,0]=4 23 B15R1.1350 CCC(c1ccccn1)N(C)CC(=O)N 269982a_100011351527_100000187820 [0,0,0,0,0,0|4,0,0]=4 24 B15R1.1350 CCC(c1cccnc1)N(C)CC(=O)N 2230a_200011351541_100000747473 [0,0,0,0,0,0|4,0,0]=4 25 B15R1.1350 CCC(c1cccnc1)N(C)CC(=O)N 269982a_200011351541_100000187820 [0,0,0,0,0,0|4,0,0]=4 26 B15R1.1350 CCN(C(=O)C=C(C)C)c1ccccc1 11a_100000210013_100000211388 [0,0,0,0,0,0|4,0,0]=4 27 B15R1.1350 CCN(C(=O)C=C(C)C)c1ccccc1 1626a_100000210013_100000211388 [0,0,0,0,0,0|4,0,0]=4 28 B15R1.1350 CCN(C(=O)C=C(C)C)c1ccccc1 22a_100000210013_100000211388 [0,0,0,0,0,0|4,0,0]=4 29 B15R1.1350 CCN(C(=O)C=C(C)Cl)c1ccccc1 11a_100000210013_200042562850 [0,0,0,0,0,0|4,0,0]=4 30 B15R1.1350 CCN(C(=O)C=C(C)Cl)c1ccccc1 1626a_100000210013_200042562850 [0,0,0,0,0,0|4,0,0]=4 31 B15R1.1350 CCN(C(=O)C=C(C)Cl)c1ccccc1 22a_100000210013_200042562850 [0,0,0,0,0,0|4,0,0]=4 32 B15R1.1350 CCN(C(=O)C=C(C)I)c1ccccc1 11a_100000210013_100025716642 [0,0,0,0,0,0|4,0,0]=4 33 B15R1.1350 CCN(C(=O)C=C(C)I)c1ccccc1 1626a_100000210013_100025716642 [0,0,0,0,0,0|4,0,0]=4 34 B15R1.1350 CCN(C(=O)C=C(Cl)Cl)c1ccccc1 1626a_100000210013_100000137448 [0,0,0,0,0,0|4,0,0]=4 35 B15R1.1350 CCN(C(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000183513 [0,0,0,0,0,0|3,0,0]=3 36 B15R1.1350 CCN(C(=O)CC(=O)N)c1ccccc1 22a_100000210013_100134613110 [0,0,0,0,0,0|2,0,0]=2 37 B15R1.1350 CNC(C(=O)NC(=O)N)c1ccccc1 2230a_106832991635_100000010812 [0,0,0,0,0,0|1,0,0]=1 38 B15R1.1350 CNC(C(=O)NC(C)C)c1ccccc1 2230a_106832991635_100000739299 [0,0,0,0,0,0|3,0,1]=4 39 B15R1.1350 CNC(C(=O)NC(C)C)c1ccccc1 7a_106832991635_100000739299 [0,0,0,0,0,0|3,0,1]=4 40 B15R1.1350 CO[C@@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000698336_100000187820 [0,0,0,0,0,0|2,0,0]=2 41 B15R1.1350 CO[C@@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000698336_100020667443 [0,0,0,0,0,0|3,0,0]=3 42 B15R1.1350 CO[C@@H](C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000698336_100000761209 [0,0,0,0,0,0|4,0,0]=4 43 B15R1.1350 CO[C@@H](C(=O)NC(C)C)c1ccccc1 11a_100138425928_100000698336 [0,0,0,0,0,0|3,0,1]=4 44 B15R1.1350 CO[C@@H](C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000698336 [0,0,0,0,0,0|3,0,1]=4 45 B15R1.1350 CO[C@@H](C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000698336 [0,0,0,0,0,0|3,0,1]=4 46 B15R1.1350 CO[C@@H](C(=O)NC(C)C)c1ccccc1 527a_100138425928_100000698336 [0,0,0,0,0,0|3,0,1]=4 47 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200000210301 [0,0,0,0,0,0|1,0,0]=1 48 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_200000210301_100000010812 [0,0,0,0,0,0|1,0,0]=1 49 B15R1.1350 CSC(C(=O)NC(C)C)c1ccccc1 62a_100000739299_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B15R1.1350 CSC(C(=O)NC(C)C)c1ccccc1 62a_200000210301_100000739299 [0,0,0,0,0,0|3,0,1]=4 51 B15R1.1350 NC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000187820 [0,0,0,0,0,0|2,0,0]=2 52 B15R1.1350 O=C(C[N+](=O)[O-])C(CO)c1ccccc1 1458a_100011218805_100000761209 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.1350 O=C([O-])CC(=O)C(CO)c1ccccc1 1458a_100011218805_100020667443 [0,0,0,0,0,0|3,0,0]=3 54 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200025704644 [0,0,0,0,0,0|1,0,0]=1 55 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_200025704644_100000010812 [0,0,0,0,0,0|1,0,0]=1 56 B14R1.417 C=C(C(=O)CC(=O)N)c1ccccc1 1458a_100000065200_100000187820 [1,0,0,0,0,0|1,0,2]=4 57 B14R1.417 C=C(C)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000748629 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.417 C=C(F)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100009893438 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)C 1458a_100000211388_100000230085 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)Cl 1458a_200042562850_100000230085 [1,0,0,0,0,0|3,0,0]=4 61 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)I 1458a_100025716642_100000230085 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.417 CC(=O)CC(=O)N(C)c1ccccc1 1458a_100000070787_100000183487 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.417 CC(C(=O)C=C(Cl)Cl)c1ccccc1 1458a_100000137448_100000230085 [1,0,0,0,0,0|3,0,0]=4 64 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [1,0,0,0,0,0|1,0,0]=2 65 B14R1.417 CC(C(=O)CC(=O)N)c1ccccn1 1458a_100000722050_100000187820 [1,0,0,0,0,0|2,0,0]=3 66 B14R1.417 CC(C(=O)CC(=O)N)c1cnccn1 1458a_100134613110_200000703233 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.417 CC(C(=O)CC(=O)[O-])c1ccccn1 1458a_100000722050_100020667443 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.417 CC(C)NC(=O)[C@@H](C)c1ccccc1 11a_100138425928_100000751047 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.417 CC(C)NC(=O)[C@@H](C)c1ccccc1 1626a_100138425928_100000751047 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.417 CC(C)NC(=O)[C@@H](C)c1ccccc1 240690a_100138425928_100000751047 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.417 CC(C)NC(=O)[C@@H](C)c1ccccc1 527a_100138425928_100000751047 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.417 CN(C(=O)CC(=O)N)c1ccccc1 22a_100000210012_100134613110 [1,0,0,0,0,0|2,0,0]=3 76 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [1,0,0,0,0,0|1,0,0]=2 77 B14R1.417 C[C@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000751047_100020667443 [1,0,0,0,0,0|2,0,0]=3 78 B14R1.417 C[C@H](C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000751047_100000761209 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.417 NC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000187820 [1,0,0,0,0,0|2,0,0]=3 80 B14R1.417 NC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000187820 [1,0,0,0,0,0|2,0,0]=3 81 B14R1.417 O=C([O-])CC(=O)C(F)c1ccccc1 1458a_100000698975_100020667443 [1,0,0,0,0,0|3,0,0]=4 82 B14R1.417 O=C([O-])CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100020667443 [1,0,0,0,0,0|3,0,0]=4 83 B14R1.540 CCC(=NNC(=O)C)c1ccccc1 4a_100000189765_100000210124 [1,0,0,0,0,0|2,0,1]=4 84 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [1,0,0,0,0,0|2,0,0]=3 85 B14R1.540 CCC(NCC(=O)N)c1ccccn1 2230a_100015186561_100000747473 [1,0,0,0,0,0|3,0,0]=4 86 B14R1.540 CCC(NCC(=O)N)c1cccnc1 2230a_100000246009_100000747473 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [1,0,0,0,0,0|2,0,0]=3 88 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [1,0,0,0,0,0|2,0,0]=3 89 B14R1.540 CCC(OCC(=O)[O-])c1ccccc1 34a_100000698172_100020667443 [1,0,0,0,0,0|3,0,0]=4 90 B14R1.540 CCN(CCC(=O)N)c1ccccc1 2230a_100000210013_100000744528 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.540 CCN(CCC(=O)N)c1ccccc1 269982a_100000210013_100000744528 [1,0,0,0,0,0|2,0,1]=4 92 B14R1.540 CCN(CCC(=O)N)c1ccccc1 34a_100000210013_100000731001 [1,0,0,0,0,0|2,0,1]=4 93 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [1,0,0,0,0,0|3,0,0]=4 94 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [1,0,0,0,0,0|3,0,0]=4 95 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [1,0,0,0,0,0|3,0,0]=4 96 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [1,0,0,0,0,0|3,0,0]=4 97 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [1,0,0,0,0,0|3,0,0]=4 98 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [1,0,0,0,0,0|3,0,0]=4 99 B14R1.604 C#CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000184674 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.604 C=CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210623 [1,0,0,0,0,0|2,0,0]=3 101 B14R1.604 C=CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210623 [1,0,0,0,0,0|3,0,0]=4 102 B14R1.604 C=CCC(=O)N(CC)c1ccccc1 11a_100000210013_100000210193 [1,0,0,0,0,0|3,0,0]=4 103 B14R1.604 C=CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210193 [1,0,0,0,0,0|3,0,0]=4 104 B14R1.604 C=CCC(=O)N(CC)c1ccccc1 22a_100000210013_100000210193 [1,0,0,0,0,0|3,0,0]=4 105 B14R1.604 C=CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210623 [1,0,0,0,0,0|3,0,0]=4 106 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000210699 [1,0,0,0,0,0|3,0,0]=4 107 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210699 [1,0,0,0,0,0|3,0,0]=4 108 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000210699 [1,0,0,0,0,0|3,0,0]=4 109 B14R1.604 CCC(C(=O)CC#N)c1ccccc1 1458a_100000211302_100011214920 [1,0,0,0,0,0|1,0,2]=4 110 B14R1.604 CCC(C(=O)CCF)c1ccccc1 1458a_100000211302_100011217306 [1,0,0,0,0,0|2,0,1]=4 111 B14R1.604 CCC(C(=O)CCO)c1ccccc1 1458a_100000211302_100000211926 [1,0,0,0,0,0|1,0,2]=4 112 B14R1.604 CCC(C(=O)NNC)c1ccccc1 22a_100016993582_100000211302 [1,0,0,0,0,0|2,0,0]=3 113 B14R1.604 CCC(c1ccccc1)N(C)CC=O 2230a_100000737544_200015260668 [1,0,0,0,0,0|3,0,0]=4 114 B14R1.604 CCC(c1ccccc1)N(C)CC=O 269982a_100000737544_200015260668 [1,0,0,0,0,0|3,0,0]=4 115 B14R1.604 CCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210303 [1,0,0,0,0,0|2,0,1]=4 116 B14R1.604 CCN(C(=O)C=CBr)c1ccccc1 1626a_100000210013_100016273825 [1,0,0,0,0,0|3,0,0]=4 117 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 11a_100000210013_200016279998 [1,0,0,0,0,0|3,0,0]=4 118 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 1626a_100000210013_200016279998 [1,0,0,0,0,0|3,0,0]=4 119 B14R1.604 CCN(C(=O)C=CI)c1ccccc1 1626a_100000210013_100016256311 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.604 CCNC(=O)C(CC)c1ccccc1 11a_100015525214_100000211302 [1,0,0,0,0,0|1,0,1]=3 121 B14R1.604 CCNC(=O)C(CC)c1ccccc1 240690a_100015525214_100000211302 [1,0,0,0,0,0|1,0,1]=3 122 B14R1.604 CCNC(=O)C(CC)c1ccccc1 527a_100015525214_100000211302 [1,0,0,0,0,0|1,0,1]=3 123 B14R1.604 CCNC(=O)C(CO)c1ccccc1 240690a_100015525214_100011218805 [1,0,0,0,0,0|2,0,1]=4 124 B14R1.604 CCNC(=O)C(NC)c1ccccc1 2230a_100011225631_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B14R1.604 CCNC(=O)C(NC)c1ccccc1 34a_100011225631_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B14R1.604 CCNC(=O)C(N[13CH3])c1ccccc1 2230a_100011225631_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B14R1.604 CCNC(=O)C(N[13CH3])c1ccccc1 34a_100011225631_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B14R1.604 CCNC(=O)C(OC)c1ccccc1 34a_200000215474_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B14R1.604 CCNC(=O)C(OC)c1ccccc1 7a_200000215474_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B14R1.604 CCNC(=O)C(O[13CH3])c1ccccc1 34a_200000215474_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B14R1.604 CCNC(=O)C(O[13CH3])c1ccccc1 7a_200000215474_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 11a_100015525214_100000698336 [1,0,0,0,0,0|2,0,1]=4 133 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 240690a_100015525214_100000698336 [1,0,0,0,0,0|2,0,1]=4 134 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 527a_100015525214_100000698336 [1,0,0,0,0,0|2,0,1]=4 135 B14R1.604 CNNC(=O)C(CO)c1ccccc1 22a_100016993582_100011218805 [1,0,0,0,0,0|3,0,0]=4 136 B14R1.604 CNNC(=O)[C@H](OC)c1ccccc1 22a_100016993582_100000698336 [1,0,0,0,0,0|3,0,0]=4 137 B16R1.710 C=CCN(C(=O)CC(=O)N)c1ccccc1 22a_100000211662_100134613110 [0,1,0,0,0,0|2,0,1]=4 138 B16R1.710 CC(=CC(=O)C(CCCl)c1ccccc1)C 1458a_100000211388_200010132975 [0,1,0,0,0,0|3,0,0]=4 139 B16R1.710 CC(=CC(=O)C(CCCl)c1ccccc1)Cl 1458a_200042562850_200010132975 [0,1,0,0,0,0|3,0,0]=4 140 B16R1.710 CC(=CC(=O)C(CCCl)c1ccccc1)I 1458a_100025716642_200010132975 [0,1,0,0,0,0|3,0,0]=4 141 B16R1.710 CC(=O)CC(=O)N(CCO)c1ccccc1 1458a_100000070787_200000048808 [0,1,0,0,0,0|3,0,0]=4 142 B16R1.710 CCCN(C(=O)CC(=O)N)c1ccccc1 22a_200011218496_100134613110 [0,1,0,0,0,0|2,0,0]=3 143 B16R1.710 CCNC(C(=O)NC(=O)N)c1ccccc1 2230a_100015525214_100000010812 [0,1,0,0,0,0|0,0,0]=1 144 B16R1.710 CCNC(C(=O)NC(C)C)c1ccccc1 2230a_100015525214_100000739299 [0,1,0,0,0,0|2,0,1]=4 145 B16R1.710 CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000210202 [0,1,0,0,0,0|0,0,0]=1 146 B16R1.710 CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000210202_100000010812 [0,1,0,0,0,0|0,0,0]=1 147 B16R1.710 CCSC(C(=O)NC(C)C)c1ccccc1 62a_100000210202_100000739299 [0,1,0,0,0,0|2,0,1]=4 148 B16R1.710 CCSC(C(=O)NC(C)C)c1ccccc1 62a_100000739299_100000210202 [0,1,0,0,0,0|2,0,1]=4 149 B16R1.710 CN(CC(=O)N)C(CCCl)c1ccccc1 2230a_100000739694_200010132975 [0,1,0,0,0,0|3,0,0]=4 150 B16R1.710 NC(=O)CC(=O)C(CCCl)c1ccccc1 1458a_100134613110_200010132975 [0,1,0,0,0,0|1,0,0]=2 151 B16R1.710 NC(=O)CC(=O)N(CCO)c1ccccc1 22a_100000211345_100134613110 [0,1,0,0,0,0|2,0,0]=3 152 B16R1.710 NC(=O)NC(=O)C(SCF)c1ccccc1 62a_100000010812_100015361967 [0,1,0,0,0,0|1,0,0]=2 153 B16R1.710 NC(=O)NC(=O)C(SCF)c1ccccc1 62a_100015361967_100000010812 [0,1,0,0,0,0|1,0,0]=2 154 B16R1.710 O=C(C=C(Cl)Cl)C(CCCl)c1ccccc1 1458a_100000137448_200010132975 [0,1,0,0,0,0|3,0,0]=4 155 B16R1.859 C#CC(=O)CC(=O)N(CC)c1ccccc1 1458a_100000211873_100000183513 [0,1,0,0,0,0|3,0,0]=4 156 B16R1.859 C#CC(C)NC(=O)C(CC)c1ccccc1 11a_100000707721_100000211302 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.859 C#CC(C)NC(=O)C(CC)c1ccccc1 1626a_100000707721_100000211302 [0,1,0,0,0,0|2,0,1]=4 158 B16R1.859 C#CC(C)NC(=O)C(CC)c1ccccc1 240690a_100000707721_100000211302 [0,1,0,0,0,0|2,0,1]=4 159 B16R1.859 C#CC(C)NC(=O)C(CC)c1ccccc1 527a_100000707721_100000211302 [0,1,0,0,0,0|2,0,1]=4 160 B16R1.859 C=C(C#N)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000694840 [0,1,0,0,0,0|2,0,1]=4 161 B16R1.859 C=CC(=O)CC(=O)N(CC)c1ccccc1 1458a_100000185746_100000183513 [0,1,0,0,0,0|3,0,0]=4 162 B16R1.859 CCC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000747405 [0,1,0,0,0,0|2,0,0]=3 163 B16R1.859 CCC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000747405 [0,1,0,0,0,0|3,0,0]=4 164 B16R1.859 CCC(=O)CC(=O)N(CC)c1ccccc1 1458a_100000210414_100000183513 [0,1,0,0,0,0|3,0,0]=4 165 B16R1.859 CCC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000747405 [0,1,0,0,0,0|3,0,0]=4 166 B16R1.859 CCC(C(=O)CC(=O)NC)c1ccccc1 1458a_100000211302_100000183359 [0,1,0,0,0,0|1,0,0]=2 167 B16R1.859 CCC(C(=O)CC(=O)OC)c1ccccc1 1458a_100000211302_100000747449 [0,1,0,0,0,0|2,0,0]=3 168 B16R1.859 CCC(C(=O)NC(C)C#N)c1ccccc1 11a_100000737613_100000211302 [0,1,0,0,0,0|1,0,2]=4 169 B16R1.859 CCC(C(=O)NC(C)C#N)c1ccccc1 1626a_100000737613_100000211302 [0,1,0,0,0,0|1,0,2]=4 170 B16R1.859 CCC(C(=O)NC(C)C#N)c1ccccc1 527a_100000737613_100000211302 [0,1,0,0,0,0|1,0,2]=4 171 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 11a_100102880703_100000211302 [0,1,0,0,0,0|2,0,1]=4 172 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 1626a_100102880703_100000211302 [0,1,0,0,0,0|2,0,1]=4 173 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 240690a_100102880703_100000211302 [0,1,0,0,0,0|2,0,1]=4 174 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 527a_100102880703_100000211302 [0,1,0,0,0,0|2,0,1]=4 175 B16R1.859 CCC(C(=O)N[C@H](C)CO)c1ccccc1 240690a_100000737577_100000211302 [0,1,0,0,0,0|1,0,2]=4 176 B16R1.859 CCC(C(=O)N[C@H](C)CO)c1ccccc1 527a_100000737577_100000211302 [0,1,0,0,0,0|1,0,2]=4 177 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 11a_100000209981_100000211302 [0,1,0,0,0,0|2,0,1]=4 178 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 1626a_100000209981_100000211302 [0,1,0,0,0,0|2,0,1]=4 179 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 240690a_100000209981_100000211302 [0,1,0,0,0,0|2,0,1]=4 180 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 527a_100000209981_100000211302 [0,1,0,0,0,0|2,0,1]=4 181 B16R1.859 CCC(c1ccccc1)N(C)CC(=O)NC 2230a_100000737544_100000183359 [0,1,0,0,0,0|3,0,0]=4 182 B16R1.859 CCC(c1ccccc1)N(C)CC(=O)NC 269982a_100000737544_100000183359 [0,1,0,0,0,0|3,0,0]=4 183 B16R1.859 CCN(C(=O)CC(=O)CO)c1ccccc1 1458a_100000210174_100000183513 [0,1,0,0,0,0|3,0,0]=4 184 B16R1.859 CCN(C(=O)CC(=O)OC)c1ccccc1 22a_100000210013_100000211351 [0,1,0,0,0,0|3,0,0]=4 185 B16R1.859 CNC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000183359 [0,1,0,0,0,0|2,0,0]=3 186 B16R1.859 CNC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000183359 [0,1,0,0,0,0|2,0,0]=3 187 B16R1.859 COC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000747449 [0,1,0,0,0,0|3,0,0]=4 188 B16R1.859 COC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000747449 [0,1,0,0,0,0|3,0,0]=4 189 B16R1.1674 CC(=O)C(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000179758 [0,1,0,0,0,0|3,0,0]=4 190 B16R1.1674 CC(C(=O)N)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000702099 [0,1,0,0,0,0|2,0,0]=3 191 B16R1.1674 CCC(C(=O)C(C)C(=O)C)c1ccccc1 1458a_100000211302_100000179758 [0,1,0,0,0,0|2,0,0]=3 192 B16R1.1674 CCC(C(=O)C(C)C(=O)N)c1ccccc1 1458a_100000211302_100000702099 [0,1,0,0,0,0|1,0,0]=2 193 B16R1.1674 CCC(C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000211302_100009813875 [0,1,0,0,0,0|1,0,0]=2 194 B16R1.1674 CCC(C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100000211302_100020610796 [0,1,0,0,0,0|2,0,0]=3 195 B16R1.1674 CCC(C(=O)N(C)C(C)C)c1ccccc1 11a_200000211004_100000211302 [0,1,0,0,0,0|2,0,1]=4 196 B16R1.1674 CCC(C(=O)N(C)C(C)C)c1ccccc1 1626a_200000211004_100000211302 [0,1,0,0,0,0|2,0,1]=4 197 B16R1.1674 CCC(C(=O)N(C)C(C)C)c1ccccc1 240690a_200000211004_100000211302 [0,1,0,0,0,0|2,0,1]=4 198 B16R1.1674 CCC(C(=O)N(C)C(C)C)c1ccccc1 527a_200000211004_100000211302 [0,1,0,0,0,0|2,0,1]=4 199 B16R1.1674 CCC(c1ccccc1)N(C)C(=O)C(=O)N 240690a_100000737544_100011215815 [0,1,0,0,0,0|3,0,0]=4 200 B16R1.1674 CCC(c1ccccc1)N(C)C(C)C(=O)N 2230a_100000737544_100000702099 [0,1,0,0,0,0|3,0,0]=4 201 B16R1.1674 CCC(c1ccccc1)N(C)C(C)C(=O)N 269982a_100000737544_100000184083 [0,1,0,0,0,0|3,0,0]=4 202 B16R1.1674 CCC(c1ccccc1)N(C)C(F)C(=O)N 2230a_100000737544_100009813875 [0,1,0,0,0,0|3,0,0]=4 203 B16R1.1674 CCC(c1ccccc1)N(C)C(F)C(=O)N 269982a_100000737544_100009813875 [0,1,0,0,0,0|3,0,0]=4 204 B16R1.1674 CCN(C(=O)C(C)C(=O)C)c1ccccc1 1458a_100000070787_100000181168 [0,1,0,0,0,0|3,0,0]=4 205 B16R1.1674 CO[C@@H](C(=O)C(C)C(=O)C)c1ccccc1 1458a_100000698336_100000179758 [0,1,0,0,0,0|3,0,0]=4 206 B16R1.1674 CO[C@@H](C(=O)C(C)C(=O)N)c1ccccc1 1458a_100000698336_100000702099 [0,1,0,0,0,0|2,0,0]=3 207 B16R1.1674 CO[C@@H](C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000698336_100009813875 [0,1,0,0,0,0|2,0,0]=3 208 B16R1.1674 CO[C@@H](C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100000698336_100020610796 [0,1,0,0,0,0|3,0,0]=4 209 B16R1.1674 NC(=O)C(F)C(=O)C(CO)c1ccccc1 1458a_100011218805_100009813875 [0,1,0,0,0,0|2,0,0]=3 210 B16R1.1674 O=C([O-])C(F)C(=O)C(CO)c1ccccc1 1458a_100011218805_100020610796 [0,1,0,0,0,0|3,0,0]=4 211 B16R1.3023 C=C(C)CC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100000748629 [0,1,0,0,0,0|3,0,0]=4 212 B16R1.3023 C=C(F)CC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100009893438 [0,1,0,0,0,0|3,0,0]=4 213 B16R1.3023 CCC(C(=O)CC(=O)N)c1ccc(cc1)Br 1458a_100011934198_100000187820 [0,1,0,0,0,0|1,0,0]=2 214 B16R1.3023 CCC(C(=O)CC(=O)[O-])c1ccc(cc1)Br 1458a_100011934198_100020667443 [0,1,0,0,0,0|2,0,0]=3 215 B16R1.3023 CCC(C(=O)C[N+](=O)[O-])c1ccc(cc1)Br 1458a_100011934198_100000761209 [0,1,0,0,0,0|3,0,0]=4 216 B16R1.3023 CCC(C(=O)NC(C)C)c1ccc(cc1)Br 11a_100138425928_100011934198 [0,1,0,0,0,0|2,0,1]=4 217 B16R1.3023 CCC(C(=O)NC(C)C)c1ccc(cc1)Br 1626a_100138425928_100011934198 [0,1,0,0,0,0|2,0,1]=4 218 B16R1.3023 CCC(C(=O)NC(C)C)c1ccc(cc1)Br 240690a_100138425928_100011934198 [0,1,0,0,0,0|2,0,1]=4 219 B16R1.3023 CCC(C(=O)NC(C)C)c1ccc(cc1)Br 527a_100138425928_100011934198 [0,1,0,0,0,0|2,0,1]=4 220 B16R1.3023 CCC(c1ccc(cc1)Br)N(C)CC(=O)N 2230a_100000231127_100000747473 [0,1,0,0,0,0|3,0,0]=4 221 B16R1.3023 CCC(c1ccc(cc1)Br)N(C)CC(=O)N 269982a_100000231127_100000187820 [0,1,0,0,0,0|3,0,0]=4 222 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)Br 22a_100000219632_100134613110 [0,1,0,0,0,0|2,0,0]=3 223 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)C 22a_100000219985_100134613110 [0,1,0,0,0,0|2,0,0]=3 224 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)Cl 22a_100000220165_100134613110 [0,1,0,0,0,0|2,0,0]=3 225 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)F 22a_100102640331_100134613110 [0,1,0,0,0,0|2,0,0]=3 226 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)O 22a_100011337800_100134613110 [0,1,0,0,0,0|2,0,0]=3 227 B16R1.3023 COC(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100012350483_100000187820 [0,1,0,0,0,0|2,0,0]=3 228 B16R1.3023 COC(C(=O)CC(=O)[O-])c1ccc(cc1)Cl 1458a_100012350483_100020667443 [0,1,0,0,0,0|3,0,0]=4 229 B16R1.3137 CCC(c1ccccc1)N(CC)CC(=O)N 2230a_100000737450_100000747473 [0,1,0,0,0,0|3,0,0]=4 230 B16R1.3137 CCC(c1ccccc1)N(CC)CC(=O)N 269982a_100000737450_100000187820 [0,1,0,0,0,0|3,0,0]=4 231 B16R1.3222 CCN(C(=O)CC(=O)N)c1cccc(c1)Br 22a_100000738899_100134613110 [0,1,0,0,0,0|2,0,0]=3 232 B16R1.3222 CCN(C(=O)CC(=O)N)c1cccc(c1)C 22a_100000182157_100134613110 [0,1,0,0,0,0|2,0,0]=3 233 B16R1.3222 COC(C(=O)CC(=O)N)c1cccc(c1)Cl 1458a_100012350482_100000187820 [0,1,0,0,0,0|2,0,0]=3 234 B16R1.3222 COC(C(=O)CC(=O)[O-])c1cccc(c1)Cl 1458a_100012350482_100020667443 [0,1,0,0,0,0|3,0,0]=4 235 B16R1.3315 CCC(C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100000211302_100000741382 [0,1,0,0,0,0|2,0,0]=3 236 B16R1.3315 CCC(C(=O)CS(=O)(=O)[O-])c1ccccc1 1458a_100000211302_100009817235 [0,1,0,0,0,0|3,0,0]=4 237 B16R1.3315 CCC(C(=O)NC(C)(C)C)c1ccccc1 11a_100000715429_100000211302 [0,1,0,0,0,0|2,0,1]=4 238 B16R1.3315 CCC(C(=O)NC(C)(C)C)c1ccccc1 1626a_100000715429_100000211302 [0,1,0,0,0,0|2,0,1]=4 239 B16R1.3315 CCC(C(=O)NC(C)(C)C)c1ccccc1 240690a_100000715429_100000211302 [0,1,0,0,0,0|2,0,1]=4 240 B16R1.3315 CCC(C(=O)NC(C)(C)C)c1ccccc1 527a_100000715429_100000211302 [0,1,0,0,0,0|2,0,1]=4 241 B16R1.3315 CCC(C(=O)NS(=O)(=O)C)c1ccccc1 2740a_100000171171_100000211302 [0,1,0,0,0,0|2,0,0]=3 242 B16R1.3315 CO[C@@H](C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100000698336_100000741382 [0,1,0,0,0,0|3,0,0]=4 243 B16R1.3315 CO[C@@H](C(=O)NS(=O)(=O)C)c1ccccc1 2740a_100000171171_100000698336 [0,1,0,0,0,0|3,0,0]=4 244 B16R1.3315 CS(=O)(=O)NC(=O)C(CO)c1ccccc1 2740a_100000171171_100011218805 [0,1,0,0,0,0|3,0,0]=4 245 B16R1.3315 NS(=O)(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000741382 [0,1,0,0,0,0|3,0,0]=4 246 B16R1.3316 C=C(C)CC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000748629 [0,1,0,0,0,0|3,0,0]=4 247 B16R1.3316 C=C(F)CC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100009893438 [0,1,0,0,0,0|3,0,0]=4 248 B16R1.3316 CCC(C(=O)CC(=O)N)c1ccccc1Cl 1458a_100011667493_100000187820 [0,1,0,0,0,0|1,0,0]=2 249 B16R1.3316 CCC(C(=O)CC(=O)[O-])c1ccccc1Cl 1458a_100011667493_100020667443 [0,1,0,0,0,0|2,0,0]=3 250 B16R1.3316 CCC(C(=O)C[N+](=O)[O-])c1ccccc1Cl 1458a_100011667493_100000761209 [0,1,0,0,0,0|3,0,0]=4 251 B16R1.3316 CCC(C(=O)NC(C)C)c1ccccc1Cl 11a_100138425928_100011667493 [0,1,0,0,0,0|2,0,1]=4 252 B16R1.3316 CCC(C(=O)NC(C)C)c1ccccc1Cl 1626a_100138425928_100011667493 [0,1,0,0,0,0|2,0,1]=4 253 B16R1.3316 CCC(C(=O)NC(C)C)c1ccccc1Cl 240690a_100138425928_100011667493 [0,1,0,0,0,0|2,0,1]=4 254 B16R1.3316 CCC(C(=O)NC(C)C)c1ccccc1Cl 527a_100138425928_100011667493 [0,1,0,0,0,0|2,0,1]=4 255 B16R1.3316 CCN(C(=O)CC(=O)C)c1ccccc1C 1458a_100000070787_100000239579 [0,1,0,0,0,0|3,0,0]=4 256 B16R1.3316 CCN(C(=O)CC(=O)N)c1ccccc1C 22a_100000211084_100134613110 [0,1,0,0,0,0|2,0,0]=3 257 B16R1.3316 CCN(C(=O)CC(=O)N)c1ccccc1O 22a_103624766699_100134613110 [0,1,0,0,0,0|2,0,0]=3 258 B16R1.3316 COC(C(=O)CC(=O)N)c1ccccc1C 1458a_100012277922_100000187820 [0,1,0,0,0,0|2,0,0]=3 259 B16R1.3316 COC(C(=O)CC(=O)N)c1ccccc1F 1458a_100012277919_100000187820 [0,1,0,0,0,0|2,0,0]=3 260 B16R1.3316 COC(C(=O)CC(=O)[O-])c1ccccc1C 1458a_100012277922_100020667443 [0,1,0,0,0,0|3,0,0]=4 261 B16R1.3316 COC(C(=O)CC(=O)[O-])c1ccccc1F 1458a_100012277919_100020667443 [0,1,0,0,0,0|3,0,0]=4 262 B16R1.5510 C=C(C)CC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000748629 [0,1,0,0,0,0|3,0,0]=4 263 B16R1.5510 C=C(F)CC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100009893438 [0,1,0,0,0,0|3,0,0]=4 264 B16R1.5510 CCC(O)(C(=O)CC(=O)N)c1ccccc1 1458a_100011434905_100000187820 [0,1,0,0,0,0|1,0,0]=2 265 B16R1.5510 CCC(O)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100011434905_100020667443 [0,1,0,0,0,0|2,0,0]=3 266 B16R1.5510 CCC(O)(C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100011434905_100000761209 [0,1,0,0,0,0|3,0,0]=4 267 B16R1.5510 CCC(O)(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100011434905 [0,1,0,0,0,0|2,0,1]=4 268 B16R1.58978 C=C(C)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000748629 [0,1,0,0,0,0|3,0,0]=4 269 B16R1.58978 C=C(F)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100009893438 [0,1,0,0,0,0|3,0,0]=4 270 B16R1.58978 CC(=O)C(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100009888967 [0,1,0,0,0,0|1,0,1]=3 271 B16R1.58978 CC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100000070787_100000010812 [0,1,0,0,0,0|0,0,1]=2 272 B16R1.58978 CC(=O)CC(=O)N(c1ccccc1)C(C)C 1458a_100000070787_100000009621 [0,1,0,0,0,0|3,0,0]=4 273 B16R1.58978 CC(C)C(C(=O)CC(=O)N)c1ccccc1 1458a_100000764467_100000187820 [0,1,0,0,0,0|1,0,0]=2 274 B16R1.58978 CC(C)C(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000764467_100020667443 [0,1,0,0,0,0|2,0,0]=3 275 B16R1.58978 CC(C)C(C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000764467_100000761209 [0,1,0,0,0,0|3,0,0]=4 276 B16R1.58978 CC(C)C(c1ccccc1)N(C)CC(=O)N 2230a_100000233099_100000747473 [0,1,0,0,0,0|3,0,0]=4 277 B16R1.58978 CC(C)C(c1ccccc1)N(C)CC(=O)N 269982a_100000233099_100000187820 [0,1,0,0,0,0|3,0,0]=4 278 B16R1.58978 CC(C)NC(=O)C(c1ccccc1)C(C)C 11a_100138425928_100000764467 [0,1,0,0,0,0|2,0,1]=4 279 B16R1.58978 CC(C)NC(=O)C(c1ccccc1)C(C)C 1626a_100138425928_100000764467 [0,1,0,0,0,0|2,0,1]=4 280 B16R1.58978 CC(C)NC(=O)C(c1ccccc1)C(C)C 240690a_100138425928_100000764467 [0,1,0,0,0,0|2,0,1]=4 281 B16R1.58978 CC(C)NC(=O)C(c1ccccc1)C(C)C 527a_100138425928_100000764467 [0,1,0,0,0,0|2,0,1]=4 282 B16R1.58978 CN(C)C(C(=O)CC(=O)N)c1ccccc1 1458a_100000743987_100000187820 [0,1,0,0,0,0|2,0,0]=3 283 B16R1.58978 CN(C)C(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000743987_100020667443 [0,1,0,0,0,0|3,0,0]=4 284 B16R1.58978 CN(C)C(C(=O)NC(=O)N)c1ccccc1 2230a_100102631434_100000010812 [0,1,0,0,0,0|1,0,0]=2 285 B16R1.58978 CN(C)C(C(=O)NC(=O)N)c1ccccc1 269982a_100102631434_100000010812 [0,1,0,0,0,0|1,0,0]=2 286 B16R1.58978 NC(=O)CC(=O)C(C(=O)N)c1ccccc1 1458a_100134613110_100000188848 [0,1,0,0,0,0|2,0,1]=4 287 B16R2.161 CC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 1626a_100009885948_100015343762 [0,0,0,1,0,0|2,0,1]=4 288 B16R2.161 CC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 240690a_100009885948_100015343762 [0,0,0,1,0,0|2,0,1]=4 289 B16R2.161 CC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 527a_100009885948_100103153847 [0,0,0,1,0,0|2,0,1]=4 290 B16R2.161 NC(=O)CN1CCCC1c2ccccc2 2230a_100000243309_100000747473 [0,0,0,1,0,0|3,0,0]=4 291 B16R2.161 NC(=O)CN1CCCC1c2ccccc2 269982a_100000243309_100000187820 [0,0,0,1,0,0|3,0,0]=4 292 B16R2.161 NC(=O)CN1CCCC1c2ccccc2 34a_100000243309_100000187820 [0,0,0,1,0,0|3,0,0]=4 293 B16R2.520 C=C(C)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000748629 [0,0,0,1,0,0|3,0,0]=4 294 B16R2.520 C=C(F)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100009893438 [0,0,0,1,0,0|3,0,0]=4 295 B16R2.520 CC(=O)CC(=O)N1CCc2c1cccc2 1458a_100000070787_100000183021 [0,0,0,1,0,0|3,0,0]=4 296 B16R2.520 CC(C)NC(=O)C1CCc2c1cccc2 11a_100138425928_100000750891 [0,0,0,1,0,0|2,0,1]=4 297 B16R2.520 CC(C)NC(=O)C1CCc2c1cccc2 1626a_100138425928_100000750891 [0,0,0,1,0,0|2,0,1]=4 298 B16R2.520 CC(C)NC(=O)C1CCc2c1cccc2 240690a_100138425928_100000750891 [0,0,0,1,0,0|2,0,1]=4 299 B16R2.520 CC(C)NC(=O)C1CCc2c1cccc2 527a_100138425928_100000750891 [0,0,0,1,0,0|2,0,1]=4 300 B16R2.520 CN(CC(=O)N)C1CCc2c1cccc2 2230a_100000739694_200000721974 [0,0,0,1,0,0|3,0,0]=4 301 B16R2.520 NC(=O)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000187820 [0,0,0,1,0,0|1,0,2]=4 302 B16R2.520 NC(=O)CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000187820 [0,0,0,1,0,0|1,0,2]=4 303 B16R2.520 NC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000187820 [0,0,0,1,0,0|1,0,0]=2 304 B16R2.520 O=C(C[N+](=O)[O-])C1CCc2c1cccc2 1458a_100000750891_100000761209 [0,0,0,1,0,0|3,0,0]=4 305 B16R2.520 O=C([O-])CC(=O)C1CCc2c1cccc2 1458a_100000750891_100020667443 [0,0,0,1,0,0|2,0,0]=3 306 B16R2.5530 CCC(C(=O)NC1CC1)c2ccccc2 1626a_100000212008_100000211302 [0,0,0,1,0,0|2,0,1]=4 307 B16R2.5530 CCC(C(=O)NC1CC1)c2ccccc2 240690a_100000212008_100000211302 [0,0,0,1,0,0|2,0,1]=4 308 B16R2.5530 CCC(C(=O)NC1CC1)c2ccccc2 527a_100000212008_100000211302 [0,0,0,1,0,0|2,0,1]=4 309 B16R2.11596 C=C(C)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000748629 [0,0,0,1,0,0|3,0,0]=4 310 B16R2.11596 C=C(F)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100009893438 [0,0,0,1,0,0|3,0,0]=4 311 B16R2.11596 CC(C)NC(=O)C1(CC1)c2ccccc2 11a_100138425928_100000211650 [0,0,0,1,0,0|2,0,1]=4 312 B16R2.11596 CC(C)NC(=O)C1(CC1)c2ccccc2 1626a_100138425928_100000211650 [0,0,0,1,0,0|2,0,1]=4 313 B16R2.11596 CC(C)NC(=O)C1(CC1)c2ccccc2 240690a_100138425928_100000211650 [0,0,0,1,0,0|2,0,1]=4 314 B16R2.11596 CC(C)NC(=O)C1(CC1)c2ccccc2 527a_100138425928_100000211650 [0,0,0,1,0,0|2,0,1]=4 315 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000187820 [0,0,0,1,0,0|1,0,0]=2 316 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_100000187820 [0,0,0,1,0,0|2,0,0]=3 317 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_100000187820 [0,0,0,1,0,0|2,0,0]=3 318 B16R2.11596 O=C(C[N+](=O)[O-])C1(CC1)c2ccccc2 1458a_100000211650_100000761209 [0,0,0,1,0,0|3,0,0]=4 319 B16R2.11596 O=C([O-])CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100020667443 [0,0,0,1,0,0|2,0,0]=3 320 B16R2.11596 O=C([O-])CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_100020667443 [0,0,0,1,0,0|3,0,0]=4 321 B16R2.11596 O=C([O-])CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_100020667443 [0,0,0,1,0,0|3,0,0]=4 322 B16R2.12348 CC(=O)C1CCN(C1=O)c2ccccc2 1458a_100000070787_100000754165 [0,0,0,1,0,0|3,0,0]=4 323 B16R2.12348 CC(=O)C1CCN(C1=O)c2ccccc2 1458a_100011210742_200000210301 [0,0,0,1,0,0|3,0,0]=4 324 B16R2.12348 [13CH3]C(=O)C1CCN(C1=O)c2ccccc2 1458a_100011210742_200025704644 [0,0,0,1,0,0|3,0,0]=4 325 B14R1.1027 C=C(Br)C(=O)N(CC)c1ccccc1 11a_100000210013_100009813364 [0,0,0,0,1,0|3,0,0]=4 326 B14R1.1027 C=C(Br)C(=O)N(CC)c1ccccc1 1626a_100000210013_100009813364 [0,0,0,0,1,0|3,0,0]=4 327 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 11a_100000210013_100000185857 [0,0,0,0,1,0|3,0,0]=4 328 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000185857 [0,0,0,0,1,0|3,0,0]=4 329 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 22a_100000210013_100000185857 [0,0,0,0,1,0|3,0,0]=4 330 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 11a_100000210013_100000039160 [0,0,0,0,1,0|3,0,0]=4 331 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000039160 [0,0,0,0,1,0|3,0,0]=4 332 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 22a_100000210013_100000039160 [0,0,0,0,1,0|3,0,0]=4 333 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 11a_100000210013_100000036797 [0,0,0,0,1,0|3,0,0]=4 334 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000036797 [0,0,0,0,1,0|3,0,0]=4 335 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 22a_100000210013_100000036797 [0,0,0,0,1,0|3,0,0]=4 336 B14R1.1027 CCC(C(=O)C(C)C)c1ccccc1 1458a_100000211302_100000210206 [0,0,0,0,1,0|2,0,1]=4 337 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 11a_100102631434_100000211302 [0,0,0,0,1,0|3,0,0]=4 338 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000211302 [0,0,0,0,1,0|3,0,0]=4 339 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000211302 [0,0,0,0,1,0|3,0,0]=4 340 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 527a_100102631434_100000211302 [0,0,0,0,1,0|3,0,0]=4 341 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 11a_100000737544_100015343762 [0,0,0,0,1,0|3,0,0]=4 342 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 1626a_100000737544_100015343762 [0,0,0,0,1,0|3,0,0]=4 343 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 240690a_100000737544_100015343762 [0,0,0,0,1,0|3,0,0]=4 344 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 527a_100000737544_100103153847 [0,0,0,0,1,0|3,0,0]=4 345 B14R1.1027 CCN(C(=O)C(=O)N)c1ccccc1 22a_100000210013_100011215815 [0,0,0,0,1,0|1,0,0]=2 346 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 2230a_100000210013_100000702099 [0,0,0,0,1,0|2,0,1]=4 347 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 269982a_100000210013_100000184083 [0,0,0,0,1,0|2,0,1]=4 348 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 34a_100000210013_100000702099 [0,0,0,0,1,0|2,0,1]=4 349 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 2230a_100000210013_100009813875 [0,0,0,0,1,0|2,0,1]=4 350 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 269982a_100000210013_100009813875 [0,0,0,0,1,0|2,0,1]=4 351 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 34a_100000210013_100009813875 [0,0,0,0,1,0|2,0,1]=4 352 B14R1.2964 CCC(C(=O)CC(=O)N)n1cccn1 1458a_100102952928_100000187820 [0,0,0,0,1,0|3,0,0]=4 353 B16R1.626 CC(=O)CC(=O)N[C@H](CO)c1ccccc1 1458a_100000070787_200013032810 [0,0,0,0,0,1|3,0,0]=4 354 B16R1.626 CCC(CN(C)CC(=O)N)c1ccccc1 270004a_100000739694_100000753018 [0,0,0,0,0,1|3,0,0]=4 355 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 11a_100000737752_100000211388 [0,0,0,0,0,1|3,0,0]=4 356 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 1626a_100000737752_100000211388 [0,0,0,0,0,1|3,0,0]=4 357 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 240690a_100000737752_100000211388 [0,0,0,0,0,1|3,0,0]=4 358 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 11a_100000737752_200042562850 [0,0,0,0,0,1|3,0,0]=4 359 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 1626a_100000737752_200042562850 [0,0,0,0,0,1|3,0,0]=4 360 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 240690a_100000737752_200042562850 [0,0,0,0,0,1|3,0,0]=4 361 B16R1.626 CCC(NC(=O)C=C(C)I)c1ccccc1 11a_100000737752_100025716642 [0,0,0,0,0,1|3,0,0]=4 362 B16R1.626 CCC(NC(=O)C=C(C)I)c1ccccc1 1626a_100000737752_100025716642 [0,0,0,0,0,1|3,0,0]=4 363 B16R1.626 CCC(NC(=O)C=C(Cl)Cl)c1ccccc1 1626a_100000737752_100000137448 [0,0,0,0,0,1|3,0,0]=4 364 B16R1.626 CCC(NC(=O)C=C(Cl)Cl)c1ccccc1 240690a_100000737752_100000137448 [0,0,0,0,0,1|3,0,0]=4 365 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccc1 240690a_100000737752_100134613110 [0,0,0,0,0,1|1,0,0]=2 366 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccc1 527a_100000737752_100134613110 [0,0,0,0,0,1|1,0,0]=2 367 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccn1 240690a_100015186561_100134613110 [0,0,0,0,0,1|2,0,0]=3 368 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccn1 527a_100015186561_100134613110 [0,0,0,0,0,1|2,0,0]=3 369 B16R1.626 CCC(NC(=O)CC(=O)N)c1cccnc1 240690a_100000246009_100134613110 [0,0,0,0,0,1|2,0,0]=3 370 B16R1.626 CCC(NC(=O)CC(=O)N)c1cccnc1 527a_100000246009_100134613110 [0,0,0,0,0,1|2,0,0]=3 371 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccncc1 240690a_100000246010_100134613110 [0,0,0,0,0,1|2,0,0]=3 372 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccncc1 527a_100000246010_100134613110 [0,0,0,0,0,1|2,0,0]=3 373 B16R1.626 CCC(NC(=O)CC(=O)N)c1cnccn1 240690a_200016994365_100134613110 [0,0,0,0,0,1|3,0,0]=4 374 B16R1.626 CCC(NC(=O)CC(=O)N)c1cnccn1 527a_200016994365_100134613110 [0,0,0,0,0,1|3,0,0]=4 375 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 2708a_100000737752_100138425928 [0,0,0,0,0,1|2,0,1]=4 376 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 2708a_100138425928_100000737752 [0,0,0,0,0,1|2,0,1]=4 377 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 273464a_100138425928_100000737752 [0,0,0,0,0,1|2,0,1]=4 378 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 512a_100000737752_100138425928 [0,0,0,0,0,1|2,0,1]=4 379 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 512a_100138425928_100000737752 [0,0,0,0,0,1|2,0,1]=4 380 B16R1.626 CCN(CC(=O)NC(=O)C)c1ccccc1 269982a_100000210013_100000183797 [0,0,0,0,0,1|2,0,0]=3 381 B16R1.626 CCN(CC(=O)NC(=O)N)c1ccccc1 2230a_100000210013_100000182717 [0,0,0,0,0,1|1,0,0]=2 382 B16R1.626 CCN(CC(=O)NC(=O)N)c1ccccc1 269982a_100000210013_100000182717 [0,0,0,0,0,1|1,0,0]=2 383 B16R1.626 N#CC(CC(=O)CC(=O)N)c1ccccc1 1458a_200000079825_100000187820 [0,0,0,0,0,1|2,0,1]=4 384 B16R1.626 N#CC(NC(=O)CC(=O)N)c1ccccc1 240690a_100020627052_100134613110 [0,0,0,0,0,1|2,0,1]=4 385 B16R1.626 NC(=O)CC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000187820 [0,0,0,0,0,1|2,0,0]=3 386 B16R1.626 NC(=O)CC(=O)NC(CO)c1ccccn1 240690a_100015196888_100134613110 [0,0,0,0,0,1|3,0,0]=4 387 B16R1.626 NC(=O)CC(=O)NC(CO)c1ccccn1 527a_100015196888_100134613110 [0,0,0,0,0,1|3,0,0]=4 388 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100134613110 [0,0,0,0,0,1|2,0,0]=3 389 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100134613110 [0,0,0,0,0,1|2,0,0]=3 390 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100134613110 [0,0,0,0,0,1|3,0,0]=4 391 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100134613110 [0,0,0,0,0,1|3,0,0]=4 392 B16R1.626 O=C([O-])CC(=O)CC(CO)c1ccccc1 1458a_106726389045_100020667443 [0,0,0,0,0,1|3,0,0]=4 393 B16R1.750 C=C(C)CC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000748629 [0,0,0,0,0,1|3,0,0]=4 394 B16R1.750 C=C(C)CC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000748629 [0,0,0,0,0,1|3,0,0]=4 395 B16R1.750 C=C(F)CC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100009893438 [0,0,0,0,0,1|3,0,0]=4 396 B16R1.750 C=C(F)CC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100009893438 [0,0,0,0,0,1|3,0,0]=4 397 B16R1.750 CCC(Cc1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000212045 [0,0,0,0,0,1|3,0,0]=4 398 B16R1.750 CCC(Nc1ccccc1)C(=O)NC(C)C 34a_100000106764_200011763342 [0,0,0,0,0,1|2,0,1]=4 399 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)N 1458a_100000211556_100000187820 [0,0,0,0,0,1|1,0,0]=2 400 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000211556_100020667443 [0,0,0,0,0,1|2,0,0]=3 401 B16R1.750 CCC(Oc1ccccc1)C(=O)C[N+](=O)[O-] 1458a_100000211556_100000761209 [0,0,0,0,0,1|3,0,0]=4 402 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 11a_100138425928_100000211556 [0,0,0,0,0,1|2,0,1]=4 403 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 1626a_100138425928_100000211556 [0,0,0,0,0,1|2,0,1]=4 404 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 240690a_100138425928_100000211556 [0,0,0,0,0,1|2,0,1]=4 405 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 34a_100000210340_200011763342 [0,0,0,0,0,1|2,0,1]=4 406 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 527a_100138425928_100000211556 [0,0,0,0,0,1|2,0,1]=4 407 B16R1.750 CCC(Oc1ccccc1)C(=O)NC(C)C 7a_100000210340_200011763342 [0,0,0,0,0,1|2,0,1]=4 408 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000230495_100000187820 [0,0,0,0,0,1|1,0,0]=2 409 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000230495_100020667443 [0,0,0,0,0,1|2,0,0]=3 410 B16R1.750 CCC(Sc1ccccc1)C(=O)C[N+](=O)[O-] 1458a_100000230495_100000761209 [0,0,0,0,0,1|3,0,0]=4 411 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 11a_100138425928_100000230495 [0,0,0,0,0,1|2,0,1]=4 412 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 1626a_100138425928_100000230495 [0,0,0,0,0,1|2,0,1]=4 413 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 240690a_100138425928_100000230495 [0,0,0,0,0,1|2,0,1]=4 414 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 527a_100138425928_100000230495 [0,0,0,0,0,1|2,0,1]=4 415 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 62a_100000719477_200011763342 [0,0,0,0,0,1|2,0,1]=4 416 B16R1.750 CCC(Sc1ccccc1)C(=O)NC(C)C 62a_200011763342_100000041952 [0,0,0,0,0,1|2,0,1]=4 417 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)C 1458a_100000070787_100000183411 [0,0,0,0,0,1|3,0,0]=4 418 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000186914_100134613110 [0,0,0,0,0,1|2,0,0]=3 419 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000186914_100134613110 [0,0,0,0,0,1|2,0,0]=3 420 B16R1.750 CCN(Cc1ccccn1)C(=O)CC(=O)N 240690a_100000201164_100134613110 [0,0,0,0,0,1|3,0,0]=4 421 B16R1.750 CCN(Cc1ccccn1)C(=O)CC(=O)N 527a_100000201164_100134613110 [0,0,0,0,0,1|3,0,0]=4 422 B16R1.750 CCN(Cc1cccnc1)C(=O)CC(=O)N 240690a_100000186920_100134613110 [0,0,0,0,0,1|3,0,0]=4 423 B16R1.750 CCN(Cc1cccnc1)C(=O)CC(=O)N 527a_100000186920_100134613110 [0,0,0,0,0,1|3,0,0]=4 424 B16R1.750 CCN(Cc1ccncc1)C(=O)CC(=O)N 240690a_100000186919_100134613110 [0,0,0,0,0,1|3,0,0]=4 425 B16R1.750 N#CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100000075392_100000187820 [0,0,0,0,0,1|2,0,1]=4 426 B16R1.750 N#CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100134613110_100000183401 [0,0,0,0,0,1|2,0,1]=4 427 B16R1.1673 C=C(C)CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000730704 [0,0,0,0,0,1|3,0,0]=4 428 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 11a_100000765925_100000211302 [0,0,0,0,0,1|2,0,0]=3 429 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 1626a_100000765925_100000211302 [0,0,0,0,0,1|2,0,0]=3 430 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 240690a_100000765925_100000211302 [0,0,0,0,0,1|2,0,0]=3 431 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 527a_100000765925_100000211302 [0,0,0,0,0,1|2,0,0]=3 432 B16R1.1673 C=C(C)CNC(=O)C(CO)c1ccccc1 240690a_100000765925_100011218805 [0,0,0,0,0,1|3,0,0]=4 433 B16R1.1673 C=C(C)CNC(=O)[C@H](OC)c1ccccc1 11a_100000765925_100000698336 [0,0,0,0,0,1|3,0,0]=4 434 B16R1.1673 C=C(C)CNC(=O)[C@H](OC)c1ccccc1 1626a_100000765925_100000698336 [0,0,0,0,0,1|3,0,0]=4 435 B16R1.1673 C=C(C)CNC(=O)[C@H](OC)c1ccccc1 240690a_100000765925_100000698336 [0,0,0,0,0,1|3,0,0]=4 436 B16R1.1673 C=C(C)CNC(=O)[C@H](OC)c1ccccc1 527a_100000765925_100000698336 [0,0,0,0,0,1|3,0,0]=4 437 B16R1.1673 CC(=O)NNC(=O)C(CO)c1ccccc1 22a_100000189765_100011218805 [0,0,0,0,0,1|2,0,0]=3 438 B16R1.1673 CCC(C(=O)CC=C(C)C)c1ccccc1 1458a_100000211302_100000761012 [0,0,0,0,0,1|3,0,0]=4 439 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000211302 [0,0,0,0,0,1|0,0,0]=1 440 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000211302 [0,0,0,0,0,1|0,0,0]=1 441 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000211302 [0,0,0,0,0,1|0,0,0]=1 442 B16R1.1673 CCC(C(=O)NCC(C)C)c1ccccc1 11a_100000210953_100000211302 [0,0,0,0,0,1|2,0,1]=4 443 B16R1.1673 CCC(C(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000211302 [0,0,0,0,0,1|2,0,1]=4 444 B16R1.1673 CCC(C(=O)NCC(C)C)c1ccccc1 240690a_100000210953_100000211302 [0,0,0,0,0,1|2,0,1]=4 445 B16R1.1673 CCC(C(=O)NCC(C)C)c1ccccc1 527a_100000210953_100000211302 [0,0,0,0,0,1|2,0,1]=4 446 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 11a_100000210904_100000211302 [0,0,0,0,0,1|1,0,2]=4 447 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 240690a_100000210904_100000211302 [0,0,0,0,0,1|1,0,2]=4 448 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 527a_100000210904_100000211302 [0,0,0,0,0,1|1,0,2]=4 449 B16R1.1673 CCC(C(=O)NCC(F)F)c1ccccc1 11a_100000765723_100000211302 [0,0,0,0,0,1|2,0,1]=4 450 B16R1.1673 CCC(C(=O)NCC(F)F)c1ccccc1 1626a_100000765723_100000211302 [0,0,0,0,0,1|2,0,1]=4 451 B16R1.1673 CCC(C(=O)NCC(F)F)c1ccccc1 240690a_100000765723_100000211302 [0,0,0,0,0,1|2,0,1]=4 452 B16R1.1673 CCC(C(=O)NCC(F)F)c1ccccc1 527a_100000765723_100000211302 [0,0,0,0,0,1|2,0,1]=4 453 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100000211302 [0,0,0,0,0,1|1,0,0]=2 454 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189840_100000070787 [0,0,0,0,0,1|1,0,0]=2 455 B16R1.1673 CCC(C(=O)NNC(C)C)c1ccccc1 22a_100000741168_100000211302 [0,0,0,0,0,1|2,0,1]=4 456 B16R1.1673 CCC(c1ccccc1)N(C)CCC(=O)N 2230a_100000737544_100000744528 [0,0,0,0,0,1|3,0,0]=4 457 B16R1.1673 CCC(c1ccccc1)N(C)CCC(=O)N 269982a_100000737544_100000744528 [0,0,0,0,0,1|3,0,0]=4 458 B16R1.1673 CCN(C(=O)CCC(=O)N)c1ccccc1 22a_100000210013_100011215257 [0,0,0,0,0,1|2,0,0]=3 459 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 11a_100000210013_100000194580 [0,0,0,0,0,1|2,0,0]=3 460 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 1626a_100000210013_100000194580 [0,0,0,0,0,1|2,0,0]=3 461 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 22a_100000210013_100000194580 [0,0,0,0,0,1|2,0,0]=3 462 B16R1.1673 CCN(C(=O)CNC(=O)N)c1ccccc1 22a_100000210013_100000184981 [0,0,0,0,0,1|1,0,0]=2 463 B16R1.1673 CCN(C(=O)COC(=O)C)c1ccccc1 1626a_100000210013_100000183556 [0,0,0,0,0,1|3,0,0]=4 464 B16R1.1673 CCN(C(=O)COC(=O)C)c1ccccc1 22a_100000210013_100000183556 [0,0,0,0,0,1|3,0,0]=4 465 B16R1.1673 CCN(C(=O)CSC(=O)C)c1ccccc1 11a_100000210013_100000049016 [0,0,0,0,0,1|3,0,0]=4 466 B16R1.1673 CCN(C(=O)CSC(=O)C)c1ccccc1 1626a_100000210013_100000049016 [0,0,0,0,0,1|3,0,0]=4 467 B16R1.1673 CN[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200000210301 [0,0,0,0,0,1|2,0,0]=3 468 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000698336 [0,0,0,0,0,1|1,0,0]=2 469 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000698336 [0,0,0,0,0,1|1,0,0]=2 470 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000698336 [0,0,0,0,0,1|1,0,0]=2 471 B16R1.1673 CO[C@@H](C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100000698336 [0,0,0,0,0,1|2,0,0]=3 472 B16R1.1673 NC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000711301_100011218805 [0,0,0,0,0,1|1,0,0]=2 473 B16R1.1673 [13CH3]N[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200025704644 [0,0,0,0,0,1|2,0,0]=3 474 B13R0.465 C=CC=CC(=O)C(C)C(=O)NC(=O)N 1458a_100016291481_100000183865 [1,0,1,0,0,0|1,0,0]=3 475 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [2,0,0,0,0,0|1,0,1]=4 476 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [2,0,0,0,0,0|1,0,1]=4 477 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [2,0,0,0,0,0|1,0,1]=4 478 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [2,0,0,0,0,0|1,0,1]=4 479 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [2,0,0,0,0,0|2,0,0]=4 480 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [2,0,0,0,0,0|2,0,0]=4 481 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [2,0,0,0,0,0|2,0,0]=4 482 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [2,0,0,0,0,0|2,0,0]=4 483 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [2,0,0,0,0,0|2,0,0]=4 484 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [2,0,0,0,0,0|2,0,0]=4 485 B13R1.47 C=CCC(=O)C(C)c1ccccc1 1458a_100000210193_100000230085 [2,0,0,0,0,0|2,0,0]=4 486 B13R1.47 C=CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210623 [2,0,0,0,0,0|2,0,0]=4 487 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [2,0,0,0,0,0|2,0,0]=4 488 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [2,0,0,0,0,0|2,0,0]=4 489 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [2,0,0,0,0,0|2,0,0]=4 490 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [2,0,0,0,0,0|2,0,0]=4 491 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [2,0,0,0,0,0|1,0,1]=4 492 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [2,0,0,0,0,0|1,0,1]=4 493 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [2,0,0,0,0,0|1,0,1]=4 494 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [2,0,0,0,0,0|2,0,0]=4 495 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [2,0,0,0,0,0|2,0,0]=4 496 B13R1.348 NC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000187820 [2,0,0,0,0,0|2,0,0]=4 497 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [2,0,0,0,0,0|1,0,0]=3 498 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [2,0,0,0,0,0|2,0,0]=4 499 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [2,0,0,0,0,0|2,0,0]=4 500 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [2,0,0,0,0,0|2,0,0]=4 501 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [2,0,0,0,0,0|2,0,0]=4 502 B13R1.348 NC(=O)CC(=O)Cc1ccncc1 1458a_100134613110_100000705612 [2,0,0,0,0,0|2,0,0]=4 503 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [2,0,0,0,0,0|2,0,0]=4 504 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [2,0,0,0,0,0|2,0,0]=4 505 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [2,0,0,0,0,0|2,0,0]=4 506 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [2,0,0,0,0,0|2,0,0]=4 507 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [2,0,0,0,0,0|2,0,0]=4 508 B13R1.532 C=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000185746 [2,0,0,0,0,0|2,0,0]=4 509 B13R1.532 C=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000185746 [2,0,0,0,0,0|2,0,0]=4 510 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [2,0,0,0,0,0|1,0,1]=4 511 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [2,0,0,0,0,0|1,0,1]=4 512 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [2,0,0,0,0,0|0,0,1]=3 513 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [2,0,0,0,0,0|0,0,1]=3 514 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [2,0,0,0,0,0|0,0,1]=3 515 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [2,0,0,0,0,0|0,0,1]=3 516 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [2,0,0,0,0,0|1,0,1]=4 517 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [2,0,0,0,0,0|1,0,1]=4 518 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [2,0,0,0,0,0|1,0,1]=4 519 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [2,0,0,0,0,0|1,0,1]=4 520 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [2,0,0,0,0,0|1,0,1]=4 521 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [2,0,0,0,0,0|1,0,1]=4 522 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [2,0,0,0,0,0|1,0,1]=4 523 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [2,0,0,0,0,0|1,0,1]=4 524 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [2,0,0,0,0,0|1,0,1]=4 525 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [2,0,0,0,0,0|1,0,1]=4 526 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [2,0,0,0,0,0|1,0,1]=4 527 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [2,0,0,0,0,0|1,0,0]=3 528 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [2,0,0,0,0,0|1,0,0]=3 529 B15R0.4836 C=CC=CC(=O)C(C(=O)NC(=O)N)C(C)C 1458a_100016291481_100000183455 [0,1,1,0,0,0|1,0,0]=3 530 B15R1.502 CC(=O)C(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000179758 [1,1,0,0,0,0|2,0,0]=4 531 B15R1.502 CC(C(=O)C(F)C(=O)N)c1ccccn1 1458a_100000722050_100009813875 [1,1,0,0,0,0|2,0,0]=4 532 B15R1.502 CC(C(=O)N)C(=O)C(C)c1ccccn1 1458a_100000722050_100000702099 [1,1,0,0,0,0|2,0,0]=4 533 B15R1.502 CC(C(=O)N)C(=O)C(F)c1ccccc1 1458a_100000698975_100000702099 [1,1,0,0,0,0|2,0,0]=4 534 B15R1.502 CC(C(=O)N)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000702099 [1,1,0,0,0,0|1,0,0]=3 535 B15R1.502 CC(C(=O)N)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000702099 [1,1,0,0,0,0|2,0,0]=4 536 B15R1.502 C[C@H](C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000751047_100009813875 [1,1,0,0,0,0|1,0,0]=3 537 B15R1.502 C[C@H](C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100000751047_100020610796 [1,1,0,0,0,0|2,0,0]=4 538 B15R1.502 NC(=O)C(F)C(=O)C(F)c1ccccc1 1458a_100000698975_100009813875 [1,1,0,0,0,0|2,0,0]=4 539 B15R1.502 NC(=O)C(F)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100009813875 [1,1,0,0,0,0|2,0,0]=4 540 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)Br 1458a_100134613110_100000755118 [1,1,0,0,0,0|1,0,0]=3 541 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100011216001_100000187820 [1,1,0,0,0,0|1,0,0]=3 542 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100134613110_100000684792 [1,1,0,0,0,0|1,0,0]=3 543 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)F 1458a_100011435297_100000187820 [1,1,0,0,0,0|1,0,0]=3 544 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)F 1458a_100134613110_100000743420 [1,1,0,0,0,0|1,0,0]=3 545 B15R1.880 CC(C(=O)CC(=O)N)c1ccc(cc1)O 1458a_100000031422_100000187820 [1,1,0,0,0,0|1,0,0]=3 546 B15R1.880 CC(C(=O)CC(=O)[O-])c1ccc(cc1)Cl 1458a_100011216001_100020667443 [1,1,0,0,0,0|2,0,0]=4 547 B15R1.880 CC(C(=O)CC(=O)[O-])c1ccc(cc1)F 1458a_100011435297_100020667443 [1,1,0,0,0,0|2,0,0]=4 548 B15R1.880 CC(C(=O)CC(=O)[O-])c1ccc(cc1)O 1458a_100000031422_100020667443 [1,1,0,0,0,0|2,0,0]=4 549 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)Br 22a_100000219623_100134613110 [1,1,0,0,0,0|2,0,0]=4 550 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)Cl 22a_100020629279_100134613110 [1,1,0,0,0,0|2,0,0]=4 551 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)F 22a_100000219829_100134613110 [1,1,0,0,0,0|2,0,0]=4 552 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)I 22a_100000743151_100134613110 [1,1,0,0,0,0|2,0,0]=4 553 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)O 22a_100000182112_100134613110 [1,1,0,0,0,0|2,0,0]=4 554 B15R1.880 CN(C(=O)CC(=O)N)c1ccc(cc1)O 527a_100000182112_100134613110 [1,1,0,0,0,0|2,0,0]=4 555 B15R1.880 Cc1ccc(cc1)C(C)C(=O)CC(=O)N 1458a_100000751627_100000187820 [1,1,0,0,0,0|1,0,0]=3 556 B15R1.880 Cc1ccc(cc1)C(C)C(=O)CC(=O)N 1458a_100134613110_100011261388 [1,1,0,0,0,0|1,0,0]=3 557 B15R1.880 Cc1ccc(cc1)C(C)C(=O)CC(=O)[O-] 1458a_100000751627_100020667443 [1,1,0,0,0,0|2,0,0]=4 558 B15R1.880 Cc1ccc(cc1)N(C)C(=O)CC(=O)N 22a_100000219977_100134613110 [1,1,0,0,0,0|2,0,0]=4 559 B15R1.880 Cc1ccc(cc1)[C@@H](O)C(=O)CC(=O)N 1458a_100009815954_100000187820 [1,1,0,0,0,0|2,0,0]=4 560 B15R1.880 NC(=O)CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000187820 [1,1,0,0,0,0|2,0,0]=4 561 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000187820 [1,1,0,0,0,0|2,0,0]=4 562 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000187820 [1,1,0,0,0,0|2,0,0]=4 563 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000187820 [1,1,0,0,0,0|2,0,0]=4 564 B15R1.880 NC(=O)CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000187820 [1,1,0,0,0,0|2,0,0]=4 565 B15R1.950 CCC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000747405 [1,1,0,0,0,0|2,0,0]=4 566 B15R1.950 CNC(=O)CC(=O)C(C)c1ccccn1 1458a_100000722050_100000183359 [1,1,0,0,0,0|2,0,0]=4 567 B15R1.950 CNC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000183359 [1,1,0,0,0,0|2,0,0]=4 568 B15R1.950 CNC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000183359 [1,1,0,0,0,0|1,0,0]=3 569 B15R1.950 CNC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000183359 [1,1,0,0,0,0|2,0,0]=4 570 B15R1.950 COC(=O)CC(=O)C(C)c1ccccc1 1458a_100000211351_100000230085 [1,1,0,0,0,0|2,0,0]=4 571 B15R1.950 COC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000747449 [1,1,0,0,0,0|2,0,0]=4 572 B15R1.3977 C[C@H](C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100000751047_100000741382 [1,1,0,0,0,0|2,0,0]=4 573 B15R1.3977 C[C@H](C(=O)NS(=O)(=O)C)c1ccccc1 2740a_100000171171_100000751047 [1,1,0,0,0,0|2,0,0]=4 574 B15R1.5792 CC(C(=O)CC(=O)N)c1ccccc1Br 1458a_100012359601_100000187820 [1,1,0,0,0,0|1,0,0]=3 575 B15R1.5792 CC(C(=O)CC(=O)N)c1ccccc1Cl 1458a_100011667492_100000187820 [1,1,0,0,0,0|1,0,0]=3 576 B15R1.5792 CC(C(=O)CC(=O)N)c1ccccc1Cl 1458a_100134613110_100000181259 [1,1,0,0,0,0|1,0,0]=3 577 B15R1.5792 CC(C(=O)CC(=O)N)c1ccccc1F 1458a_100134613110_200000741388 [1,1,0,0,0,0|1,0,0]=3 578 B15R1.5792 CC(C(=O)CC(=O)[O-])c1ccccc1Br 1458a_100012359601_100020667443 [1,1,0,0,0,0|2,0,0]=4 579 B15R1.5792 CC(C(=O)CC(=O)[O-])c1ccccc1Cl 1458a_100011667492_100020667443 [1,1,0,0,0,0|2,0,0]=4 580 B15R1.5792 CN(C(=O)CC(=O)N)c1ccccc1F 22a_100000220357_100134613110 [1,1,0,0,0,0|2,0,0]=4 581 B15R1.5792 CN(C(=O)CC(=O)N)c1ccccc1O 22a_100000033821_100134613110 [1,1,0,0,0,0|2,0,0]=4 582 B15R1.5792 CN(C(=O)CC(=O)N)c1ccccc1O 527a_100000033821_100134613110 [1,1,0,0,0,0|2,0,0]=4 583 B15R1.5792 Cc1ccccc1N(C)C(=O)CC(=O)N 22a_100000219699_100134613110 [1,1,0,0,0,0|2,0,0]=4 584 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000187820 [1,1,0,0,0,0|2,0,0]=4 585 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000187820 [1,1,0,0,0,0|2,0,0]=4 586 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1F 1458a_100011219519_100000187820 [1,1,0,0,0,0|2,0,0]=4 587 B15R1.8271 CC(C(=O)CC(=O)N)c1cccc(c1)Br 1458a_100000722698_100000187820 [1,1,0,0,0,0|1,0,0]=3 588 B15R1.8271 CC(C(=O)CC(=O)N)c1cccc(c1)Cl 1458a_100000762818_100000187820 [1,1,0,0,0,0|1,0,0]=3 589 B15R1.8271 CC(C(=O)CC(=O)N)c1cccc(c1)F 1458a_100000762896_100000187820 [1,1,0,0,0,0|1,0,0]=3 590 B15R1.8271 CC(C(=O)CC(=O)[O-])c1cccc(c1)Br 1458a_100000722698_100020667443 [1,1,0,0,0,0|2,0,0]=4 591 B15R1.8271 CC(C(=O)CC(=O)[O-])c1cccc(c1)Cl 1458a_100000762818_100020667443 [1,1,0,0,0,0|2,0,0]=4 592 B15R1.8271 CC(C(=O)CC(=O)[O-])c1cccc(c1)F 1458a_100000762896_100020667443 [1,1,0,0,0,0|2,0,0]=4 593 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)Br 22a_100000219648_100134613110 [1,1,0,0,0,0|2,0,0]=4 594 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)Br 527a_100000219648_100134613110 [1,1,0,0,0,0|2,0,0]=4 595 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)Cl 22a_100000220044_100134613110 [1,1,0,0,0,0|2,0,0]=4 596 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)F 22a_100020633736_100134613110 [1,1,0,0,0,0|2,0,0]=4 597 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)I 22a_100000221217_100134613110 [1,1,0,0,0,0|2,0,0]=4 598 B15R1.8271 CN(C(=O)CC(=O)N)c1cccc(c1)O 527a_100000756613_100134613110 [1,1,0,0,0,0|2,0,0]=4 599 B15R1.8271 Cc1cccc(c1)C(O)C(=O)CC(=O)N 1458a_100011434945_100000187820 [1,1,0,0,0,0|2,0,0]=4 600 B15R1.8271 Cc1cccc(c1)N(C)C(=O)CC(=O)N 22a_100000219674_100134613110 [1,1,0,0,0,0|2,0,0]=4 601 B15R1.8271 Cc1cccc(c1)[C@@H](C)C(=O)CC(=O)N 1458a_200009911544_100000187820 [1,1,0,0,0,0|1,0,0]=3 602 B15R1.8271 Cc1cccc(c1)[C@@H](C)C(=O)CC(=O)[O-] 1458a_200009911544_100020667443 [1,1,0,0,0,0|2,0,0]=4 603 B15R1.8271 NC(=O)CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000187820 [1,1,0,0,0,0|2,0,0]=4 604 B15R1.8271 NC(=O)CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000187820 [1,1,0,0,0,0|2,0,0]=4 605 B15R1.12173 CC(C)(C(=O)CC(=O)N)c1ccccc1 1458a_100000211857_100000187820 [1,1,0,0,0,0|1,0,0]=3 606 B15R1.12173 CC(C)(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000034625 [1,1,0,0,0,0|1,0,0]=3 607 B15R1.12173 CC(C)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211857_100020667443 [1,1,0,0,0,0|2,0,0]=4 608 B15R1.12173 C[C@](O)(C(=O)CC(=O)N)c1ccccc1 1458a_100000753667_100000187820 [1,1,0,0,0,0|1,0,0]=3 609 B15R1.12173 C[C@](O)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000753667_100020667443 [1,1,0,0,0,0|2,0,0]=4 610 B15R1.12173 NC(=O)CC(=O)C(F)(F)c1ccccc1 1458a_100134613110_100000036403 [1,1,0,0,0,0|2,0,0]=4 611 B15R1.523 CCC(NC(=O)C(=O)N)c1ccccc1 240690a_100000737752_100011215815 [1,1,0,0,0,0|2,0,0]=4 612 B15R1.523 CCC(NC(C)C(=O)N)c1ccccc1 2230a_100000737752_100000702099 [1,1,0,0,0,0|2,0,0]=4 613 B15R1.523 CCC(NC(F)C(=O)N)c1ccccc1 2230a_100000737752_100009813875 [1,1,0,0,0,0|2,0,0]=4 614 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 34a_100000698172_100000702099 [1,1,0,0,0,0|2,0,0]=4 615 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 7a_100000698172_100000702099 [1,1,0,0,0,0|2,0,0]=4 616 B15R1.523 CCC(OC(F)C(=O)N)c1ccccc1 34a_100000698172_100009813875 [1,1,0,0,0,0|2,0,0]=4 617 B15R1.523 CCC(OC(F)C(=O)N)c1ccccc1 7a_100000698172_100009813875 [1,1,0,0,0,0|2,0,0]=4 618 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 2230a_100000749201_100000747473 [1,1,0,0,0,0|2,0,0]=4 619 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 34a_100000749201_100000187820 [1,1,0,0,0,0|2,0,0]=4 620 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 2230a_100011191751_100000747473 [1,1,0,0,0,0|2,0,0]=4 621 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 34a_100011191751_100000187820 [1,1,0,0,0,0|2,0,0]=4 622 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)O 34a_100015187210_100000187820 [1,1,0,0,0,0|2,0,0]=4 623 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 34a_100000246506_100000187820 [1,1,0,0,0,0|2,0,0]=4 624 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 7a_100000246506_100000187820 [1,1,0,0,0,0|2,0,0]=4 625 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 34a_100000246521_100000187820 [1,1,0,0,0,0|2,0,0]=4 626 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 7a_100000246521_100000187820 [1,1,0,0,0,0|2,0,0]=4 627 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 34a_100000246471_100000187820 [1,1,0,0,0,0|2,0,0]=4 628 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 7a_100000246471_100000187820 [1,1,0,0,0,0|2,0,0]=4 629 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 34a_100000246474_100000187820 [1,1,0,0,0,0|2,0,0]=4 630 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 7a_100000246474_100000187820 [1,1,0,0,0,0|2,0,0]=4 631 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100025736560_100000747473 [1,1,0,0,0,0|2,0,0]=4 632 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 34a_100025736560_100000187820 [1,1,0,0,0,0|2,0,0]=4 633 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100000747473 [1,1,0,0,0,0|2,0,0]=4 634 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015186824_100000187820 [1,1,0,0,0,0|2,0,0]=4 635 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)Cl 2230a_100000737531_100000747473 [1,1,0,0,0,0|2,0,0]=4 636 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)Cl 34a_100000737531_100000187820 [1,1,0,0,0,0|2,0,0]=4 637 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)F 2230a_100159265421_100000747473 [1,1,0,0,0,0|2,0,0]=4 638 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)F 34a_100159265421_100000187820 [1,1,0,0,0,0|2,0,0]=4 639 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)O 2230a_100159312145_100000747473 [1,1,0,0,0,0|2,0,0]=4 640 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)O 34a_100159312145_100000187820 [1,1,0,0,0,0|2,0,0]=4 641 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)Cl 34a_100000766619_100000187820 [1,1,0,0,0,0|2,0,0]=4 642 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)Cl 7a_100000766619_100000187820 [1,1,0,0,0,0|2,0,0]=4 643 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)F 34a_100011350881_100000187820 [1,1,0,0,0,0|2,0,0]=4 644 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)F 7a_100011350881_100000187820 [1,1,0,0,0,0|2,0,0]=4 645 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)I 34a_200013212081_100000187820 [1,1,0,0,0,0|2,0,0]=4 646 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)I 7a_200013212081_100000187820 [1,1,0,0,0,0|2,0,0]=4 647 B15R1.660 CC[C@@H](NCC(=O)N)c1cccc(c1)C 2230a_200016991486_100000747473 [1,1,0,0,0,0|2,0,0]=4 648 B15R1.660 CC[C@@H](NCC(=O)N)c1cccc(c1)C 34a_200016991486_100000187820 [1,1,0,0,0,0|2,0,0]=4 649 B15R1.660 CC[C@H](NCC(=O)N)c1cccc(c1)Br 2230a_100102422761_100000747473 [1,1,0,0,0,0|2,0,0]=4 650 B15R1.660 CC[C@H](NCC(=O)N)c1cccc(c1)Br 34a_100102422761_100000187820 [1,1,0,0,0,0|2,0,0]=4 651 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 2230a_100000737752_100000183359 [1,1,0,0,0,0|2,0,0]=4 652 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 269862a_100000693194_100000210124 [1,1,0,0,0,0|2,0,0]=4 653 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 34a_100000698172_100000183359 [1,1,0,0,0,0|2,0,0]=4 654 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 7a_100000698172_100000183359 [1,1,0,0,0,0|2,0,0]=4 655 B15R1.1299 CCCC(NCC(=O)N)c1ccccc1 2230a_100000189686_100000747473 [1,1,0,0,0,0|2,0,0]=4 656 B15R1.1299 CCCC(NCC(=O)N)c1ccccc1 34a_100000189686_100000187820 [1,1,0,0,0,0|2,0,0]=4 657 B15R1.1299 CCCC(OCC(=O)N)c1ccccc1 34a_100000747916_100000187820 [1,1,0,0,0,0|2,0,0]=4 658 B15R1.1299 CCCC(OCC(=O)N)c1ccccc1 7a_100000747916_100000187820 [1,1,0,0,0,0|2,0,0]=4 659 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 2230a_103619048568_100000747473 [1,1,0,0,0,0|2,0,0]=4 660 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 34a_103619048568_100000187820 [1,1,0,0,0,0|2,0,0]=4 661 B15R1.1299 NC(=O)CNC(CCCl)c1ccccc1 2230a_100000711301_200010132975 [1,1,0,0,0,0|2,0,0]=4 662 B15R1.1299 NC(=O)CN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000747473 [1,1,0,0,0,0|2,0,0]=4 663 B15R1.1299 NC(=O)CO[C@H](CCCl)c1ccccc1 34a_100000729684_100000187820 [1,1,0,0,0,0|2,0,0]=4 664 B15R1.1299 NC(=O)CO[C@H](CCCl)c1ccccc1 7a_100000729684_100000187820 [1,1,0,0,0,0|2,0,0]=4 665 B15R1.1299 NC(=O)CSC(CCCl)c1ccccc1 62a_100000747473_200010132975 [1,1,0,0,0,0|2,0,0]=4 666 B15R1.1299 NC(=O)CSC(CCCl)c1ccccc1 62a_200010132975_100000747473 [1,1,0,0,0,0|2,0,0]=4 667 B15R1.1299 NCCC(OCC(=O)N)c1ccccc1 34a_100000763605_100000187820 [1,1,0,0,0,0|2,0,0]=4 668 B15R1.10019 CCC(OCC(=O)N)c1ccccc1F 34a_200011689290_100000187820 [1,1,0,0,0,0|2,0,0]=4 669 B15R1.10019 CCC(OCC(=O)N)c1ccccc1F 7a_200011689290_100000187820 [1,1,0,0,0,0|2,0,0]=4 670 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1Cl 2230a_200016987949_100000747473 [1,1,0,0,0,0|2,0,0]=4 671 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1Cl 34a_200016987949_100000187820 [1,1,0,0,0,0|2,0,0]=4 672 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1F 2230a_100015190424_100000747473 [1,1,0,0,0,0|2,0,0]=4 673 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1F 34a_100015190424_100000187820 [1,1,0,0,0,0|2,0,0]=4 674 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 11a_200009885855_100015343762 [1,1,0,0,0,0|1,0,1]=4 675 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 1626a_200009885855_100015343762 [1,1,0,0,0,0|1,0,1]=4 676 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 240690a_200009885855_100015343762 [1,1,0,0,0,0|1,0,1]=4 677 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 527a_200009885855_100103153847 [1,1,0,0,0,0|1,0,1]=4 678 B15R1.12293 CC(C)C(OCC(=O)N)c1ccccc1 34a_200011217822_100000187820 [1,1,0,0,0,0|2,0,0]=4 679 B15R1.12293 CC(C)C(OCC(=O)N)c1ccccc1 7a_200011217822_100000187820 [1,1,0,0,0,0|2,0,0]=4 680 B15R1.12293 CC(C)[C@H](NCC(=O)N)c1ccccc1 2230a_100015186014_100000747473 [1,1,0,0,0,0|2,0,0]=4 681 B15R1.12293 CC(C)[C@H](NCC(=O)N)c1ccccc1 34a_100015186014_100000187820 [1,1,0,0,0,0|2,0,0]=4 682 B15R1.12293 C[C@H](O)[C@@H](NCC(=O)N)c1ccccc1 2230a_100134616770_100000747473 [1,1,0,0,0,0|2,0,0]=4 683 B15R1.13394 CCC(C)(OCC(=O)N)c1ccccc1 7a_100000748282_100000187820 [1,1,0,0,0,0|2,0,0]=4 684 B15R1.769 C=CCC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100000210623 [1,1,0,0,0,0|2,0,0]=4 685 B15R1.769 CCC(C(=O)NNC)c1ccc(cc1)Br 22a_100016993582_100011934198 [1,1,0,0,0,0|2,0,0]=4 686 B15R1.769 CCNC(=O)C(CC)c1ccc(cc1)Br 11a_100015525214_100011934198 [1,1,0,0,0,0|1,0,1]=4 687 B15R1.769 CCNC(=O)C(CC)c1ccc(cc1)Br 240690a_100015525214_100011934198 [1,1,0,0,0,0|1,0,1]=4 688 B15R1.769 CCNC(=O)C(CC)c1ccc(cc1)Br 527a_100015525214_100011934198 [1,1,0,0,0,0|1,0,1]=4 689 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 11a_100000212058_100000211302 [1,1,0,0,0,0|1,0,1]=4 690 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 1626a_100000212058_100000211302 [1,1,0,0,0,0|1,0,1]=4 691 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 240690a_100000212058_100000211302 [1,1,0,0,0,0|1,0,1]=4 692 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 527a_100000212058_100000211302 [1,1,0,0,0,0|1,0,1]=4 693 B15R1.1215 C/C=C/CC(=O)C(CC)c1ccccc1 1458a_100000211302_100102629194 [1,1,0,0,0,0|2,0,0]=4 694 B15R1.1215 C=CCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000754431 [1,1,0,0,0,0|2,0,0]=4 695 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 1626a_100020586998_100000211302 [1,1,0,0,0,0|1,0,0]=3 696 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 240690a_100020586998_100000211302 [1,1,0,0,0,0|1,0,0]=3 697 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 527a_100020586998_100000211302 [1,1,0,0,0,0|1,0,0]=3 698 B15R1.1215 C=CCNC(=O)C(CO)c1ccccc1 240690a_100020586998_100011218805 [1,1,0,0,0,0|2,0,0]=4 699 B15R1.1215 C=CCNC(=O)[C@H](OC)c1ccccc1 1626a_100020586998_100000698336 [1,1,0,0,0,0|2,0,0]=4 700 B15R1.1215 C=CCNC(=O)[C@H](OC)c1ccccc1 240690a_100020586998_100000698336 [1,1,0,0,0,0|2,0,0]=4 701 B15R1.1215 C=CCNC(=O)[C@H](OC)c1ccccc1 527a_100020586998_100000698336 [1,1,0,0,0,0|2,0,0]=4 702 B15R1.1215 CC=CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000070051 [1,1,0,0,0,0|2,0,0]=4 703 B15R1.1215 CC=NNC(=O)C(CC)c1ccccc1 4a_100000189840_200000210099 [1,1,0,0,0,0|1,0,0]=3 704 B15R1.1215 CCC(C(=O)NCC#N)c1ccccc1 1626a_100000734998_100000211302 [1,1,0,0,0,0|0,0,2]=4 705 B15R1.1215 CCC(C(=O)NCC#N)c1ccccc1 527a_100000734998_100000211302 [1,1,0,0,0,0|0,0,2]=4 706 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 11a_100000724931_100000211302 [1,1,0,0,0,0|1,0,1]=4 707 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 1626a_100000724931_100000211302 [1,1,0,0,0,0|1,0,1]=4 708 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 240690a_100000724931_100000211302 [1,1,0,0,0,0|1,0,1]=4 709 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 527a_100000724931_100000211302 [1,1,0,0,0,0|1,0,1]=4 710 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 240690a_100000210304_100000211302 [1,1,0,0,0,0|0,0,2]=4 711 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 527a_100000210304_100000211302 [1,1,0,0,0,0|0,0,2]=4 712 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 11a_100020643023_100000211302 [1,1,0,0,0,0|1,0,1]=4 713 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 1626a_100020643023_100000211302 [1,1,0,0,0,0|1,0,1]=4 714 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 240690a_100020643023_100000211302 [1,1,0,0,0,0|1,0,1]=4 715 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 527a_100020643023_100000211302 [1,1,0,0,0,0|1,0,1]=4 716 B15R1.1215 CCNNC(=O)C(CC)c1ccccc1 22a_100000756455_100000211302 [1,1,0,0,0,0|1,0,1]=4 717 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 11a_100000225621_100000211302 [1,1,0,0,0,0|1,0,1]=4 718 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 1626a_100000225621_100000211302 [1,1,0,0,0,0|1,0,1]=4 719 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 240690a_100000225621_100000211302 [1,1,0,0,0,0|1,0,1]=4 720 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 527a_100000225621_100000211302 [1,1,0,0,0,0|1,0,1]=4 721 B15R1.9917 C=CCC(=O)C(CCCl)c1ccccc1 1458a_100000210193_200010132975 [1,1,0,0,0,0|2,0,0]=4 722 B15R1.9917 CC=CC(=O)C(CCCl)c1ccccc1 1458a_100000210699_200010132975 [1,1,0,0,0,0|2,0,0]=4 723 B15R1.9917 CCNC(=O)C(NCC)c1ccccc1 2230a_100011225631_100000210202 [1,1,0,0,0,0|1,0,1]=4 724 B15R1.9917 CCNC(=O)C(NCC)c1ccccc1 34a_100011225631_100000210202 [1,1,0,0,0,0|1,0,1]=4 725 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 34a_200000215474_100000210202 [1,1,0,0,0,0|1,0,1]=4 726 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 7a_200000215474_100000210202 [1,1,0,0,0,0|1,0,1]=4 727 B15R1.9917 O=C(C=CBr)C(CCCl)c1ccccc1 1458a_100016273825_200010132975 [1,1,0,0,0,0|2,0,0]=4 728 B15R1.9917 O=C(C=CCl)C(CCCl)c1ccccc1 1458a_200016279998_200010132975 [1,1,0,0,0,0|2,0,0]=4 729 B15R1.9917 O=C(C=CI)C(CCCl)c1ccccc1 1458a_100016256311_200010132975 [1,1,0,0,0,0|2,0,0]=4 730 B15R1.9919 C=CCC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000210623 [1,1,0,0,0,0|2,0,0]=4 731 B15R1.9919 CCC(O)(C(=O)NNC)c1ccccc1 22a_100016993582_100011434905 [1,1,0,0,0,0|2,0,0]=4 732 B15R1.9919 CCNC(=O)C(O)(CC)c1ccccc1 240690a_100015525214_100011434905 [1,1,0,0,0,0|1,0,1]=4 733 B15R1.9922 C=CCC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000210623 [1,1,0,0,0,0|2,0,0]=4 734 B15R1.9922 CCNC(=O)C(c1ccccc1)C(C)C 11a_100015525214_100000764467 [1,1,0,0,0,0|1,0,1]=4 735 B15R1.9922 CCNC(=O)C(c1ccccc1)C(C)C 240690a_100015525214_100000764467 [1,1,0,0,0,0|1,0,1]=4 736 B15R1.9922 CCNC(=O)C(c1ccccc1)C(C)C 527a_100015525214_100000764467 [1,1,0,0,0,0|1,0,1]=4 737 B15R1.9922 CNNC(=O)C(c1ccccc1)C(C)C 22a_100016993582_100000764467 [1,1,0,0,0,0|2,0,0]=4 738 B15R1.10394 C=CCC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000210623 [1,1,0,0,0,0|2,0,0]=4 739 B15R1.10394 CCC(C(=O)NNC)c1ccccc1Cl 22a_100016993582_100011667493 [1,1,0,0,0,0|2,0,0]=4 740 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 11a_100015525214_100011667493 [1,1,0,0,0,0|1,0,1]=4 741 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 240690a_100015525214_100011667493 [1,1,0,0,0,0|1,0,1]=4 742 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 527a_100015525214_100011667493 [1,1,0,0,0,0|1,0,1]=4 743 B15R1.635 C=C(C)C(=O)C(CCCl)c1ccccc1 1458a_100000185857_200010132975 [0,1,0,0,1,0|2,0,0]=4 744 B15R1.635 C=CCN(C(=O)C(=O)N)c1ccccc1 22a_100000211662_100011215815 [0,1,0,0,1,0|1,0,1]=4 745 B15R1.635 CCCN(C(=O)C(=O)N)c1ccccc1 22a_200011218496_100011215815 [0,1,0,0,1,0|1,0,0]=3 746 B15R1.635 NC(=O)C(=O)N(CCO)c1ccccc1 22a_100000211345_100011215815 [0,1,0,0,1,0|1,0,0]=3 747 B15R1.1353 CCN(C(=O)C(=O)N)c1ccc(cc1)Br 22a_100000219632_100011215815 [0,1,0,0,1,0|1,0,0]=3 748 B15R1.1353 CCN(C(=O)C(=O)N)c1ccc(cc1)C 22a_100000219985_100011215815 [0,1,0,0,1,0|1,0,0]=3 749 B15R1.1353 CCN(C(=O)C(=O)N)c1ccc(cc1)Cl 22a_100000220165_100011215815 [0,1,0,0,1,0|1,0,0]=3 750 B15R1.1353 CCN(C(=O)C(=O)N)c1ccc(cc1)F 22a_100102640331_100011215815 [0,1,0,0,1,0|1,0,0]=3 751 B15R1.1353 CCN(C(=O)C(=O)N)c1ccc(cc1)O 22a_100011337800_100011215815 [0,1,0,0,1,0|1,0,0]=3 752 B15R1.1365 CCN(C(=O)C(=O)N)c1cccc(c1)Br 22a_100000738899_100011215815 [0,1,0,0,1,0|1,0,0]=3 753 B15R1.1365 CCN(C(=O)C(=O)N)c1cccc(c1)C 22a_100000182157_100011215815 [0,1,0,0,1,0|1,0,0]=3 754 B15R1.3963 CCN(C(=O)C(=O)N)c1ccccc1C 22a_100000211084_100011215815 [0,1,0,0,1,0|1,0,0]=3 755 B15R1.3963 CCN(C(=O)C(=O)N)c1ccccc1O 22a_103624766699_100011215815 [0,1,0,0,1,0|1,0,0]=3 756 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)C 240690a_100000749201_100134613110 [0,1,0,0,0,1|1,0,0]=3 757 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)C 527a_100000749201_100134613110 [0,1,0,0,0,1|1,0,0]=3 758 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)F 240690a_100011191751_100134613110 [0,1,0,0,0,1|1,0,0]=3 759 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)F 527a_100011191751_100134613110 [0,1,0,0,0,1|1,0,0]=3 760 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)O 240690a_100015187210_100134613110 [0,1,0,0,0,1|1,0,0]=3 761 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cc1)O 527a_100015187210_100134613110 [0,1,0,0,0,1|1,0,0]=3 762 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cn1)C 240690a_100015185231_100134613110 [0,1,0,0,0,1|2,0,0]=4 763 B17R1.695 CCC(NC(=O)CC(=O)N)c1ccc(cn1)C 527a_100015185231_100134613110 [0,1,0,0,0,1|2,0,0]=4 764 B17R1.695 CCN(CC(=O)NC(=O)C)c1ccc(cc1)Br 269982a_100000219632_100000183797 [0,1,0,0,0,1|2,0,0]=4 765 B17R1.695 CCN(CC(=O)NC(=O)C)c1ccc(cc1)C 269982a_100000219985_100000183797 [0,1,0,0,0,1|2,0,0]=4 766 B17R1.695 CCN(CC(=O)NC(=O)C)c1ccc(cc1)Cl 269982a_100000220165_100000183797 [0,1,0,0,0,1|2,0,0]=4 767 B17R1.695 CCN(CC(=O)NC(=O)C)c1ccc(cc1)F 269982a_100102640331_100000183797 [0,1,0,0,0,1|2,0,0]=4 768 B17R1.695 CCN(CC(=O)NC(=O)C)c1ccc(cc1)O 269982a_100011337800_100000183797 [0,1,0,0,0,1|2,0,0]=4 769 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)Br 2230a_100000219632_100000182717 [0,1,0,0,0,1|1,0,0]=3 770 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)Br 269982a_100000219632_100000182717 [0,1,0,0,0,1|1,0,0]=3 771 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)C 2230a_100000219985_100000182717 [0,1,0,0,0,1|1,0,0]=3 772 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)C 269982a_100000219985_100000182717 [0,1,0,0,0,1|1,0,0]=3 773 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)Cl 2230a_100000220165_100000182717 [0,1,0,0,0,1|1,0,0]=3 774 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)Cl 269982a_100000220165_100000182717 [0,1,0,0,0,1|1,0,0]=3 775 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)F 2230a_100102640331_100000182717 [0,1,0,0,0,1|1,0,0]=3 776 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)F 269982a_100102640331_100000182717 [0,1,0,0,0,1|1,0,0]=3 777 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)O 2230a_100011337800_100000182717 [0,1,0,0,0,1|1,0,0]=3 778 B17R1.695 CCN(CC(=O)NC(=O)N)c1ccc(cc1)O 269982a_100011337800_100000182717 [0,1,0,0,0,1|1,0,0]=3 779 B17R1.695 CC[C@H](NC(=O)CC(=O)N)c1ccc(cc1)Br 240690a_100025736560_100134613110 [0,1,0,0,0,1|1,0,0]=3 780 B17R1.695 CC[C@H](NC(=O)CC(=O)N)c1ccc(cc1)Br 527a_100025736560_100134613110 [0,1,0,0,0,1|1,0,0]=3 781 B17R1.695 CC[C@H](NC(=O)CC(=O)N)c1ccc(cc1)Cl 240690a_100015186824_100134613110 [0,1,0,0,0,1|1,0,0]=3 782 B17R1.695 CC[C@H](NC(=O)CC(=O)N)c1ccc(cc1)Cl 527a_100015186824_100134613110 [0,1,0,0,0,1|1,0,0]=3 783 B17R1.695 Cc1ccc(cc1)[C@H](CO)NC(=O)CC(=O)N 240690a_100009818840_100134613110 [0,1,0,0,0,1|2,0,0]=4 784 B17R1.695 Cc1ccc(cc1)[C@H](CO)NC(=O)CC(=O)N 527a_100009818840_100134613110 [0,1,0,0,0,1|2,0,0]=4 785 B17R1.695 NC(=O)CC(=O)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100134613110 [0,1,0,0,0,1|2,0,0]=4 786 B17R1.695 NC(=O)CC(=O)NC(CO)c1ccc(cc1)Br 527a_100000734186_100134613110 [0,1,0,0,0,1|2,0,0]=4 787 B17R1.695 NC(=O)CC(=O)NC(CO)c1ccc(cc1)F 240690a_100000705410_100134613110 [0,1,0,0,0,1|2,0,0]=4 788 B17R1.695 NC(=O)CC(=O)NC(CO)c1ccc(cc1)F 527a_100000705410_100134613110 [0,1,0,0,0,1|2,0,0]=4 789 B17R1.695 NC(=O)CC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100134613110 [0,1,0,0,0,1|2,0,0]=4 790 B17R1.695 NC(=O)CC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100134613110 [0,1,0,0,0,1|2,0,0]=4 791 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)Cl 240690a_100000737531_100134613110 [0,1,0,0,0,1|1,0,0]=3 792 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)Cl 527a_100000737531_100134613110 [0,1,0,0,0,1|1,0,0]=3 793 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)F 240690a_100159265421_100134613110 [0,1,0,0,0,1|1,0,0]=3 794 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)F 527a_100159265421_100134613110 [0,1,0,0,0,1|1,0,0]=3 795 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)O 240690a_100159312145_100134613110 [0,1,0,0,0,1|1,0,0]=3 796 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(c1)O 527a_100159312145_100134613110 [0,1,0,0,0,1|1,0,0]=3 797 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(n1)C 240690a_100161156280_100134613110 [0,1,0,0,0,1|2,0,0]=4 798 B17R1.696 CCC(NC(=O)CC(=O)N)c1cccc(n1)C 527a_100161156280_100134613110 [0,1,0,0,0,1|2,0,0]=4 799 B17R1.696 CCN(CC(=O)NC(=O)C)c1cccc(c1)Br 269982a_100000738899_100000183797 [0,1,0,0,0,1|2,0,0]=4 800 B17R1.696 CCN(CC(=O)NC(=O)C)c1cccc(c1)C 269982a_100000182157_100000183797 [0,1,0,0,0,1|2,0,0]=4 801 B17R1.696 CCN(CC(=O)NC(=O)C)c1cccc(c1)C 7a_100000182157_100000183797 [0,1,0,0,0,1|2,0,0]=4 802 B17R1.696 CCN(CC(=O)NC(=O)C)c1cccc(c1)O 269982a_100000717746_100000183797 [0,1,0,0,0,1|2,0,0]=4 803 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)Br 2230a_100000738899_100000182717 [0,1,0,0,0,1|1,0,0]=3 804 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)Br 269982a_100000738899_100000182717 [0,1,0,0,0,1|1,0,0]=3 805 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)C 2230a_100000182157_100000182717 [0,1,0,0,0,1|1,0,0]=3 806 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)C 269982a_100000182157_100000182717 [0,1,0,0,0,1|1,0,0]=3 807 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)C 7a_100000182157_100000182717 [0,1,0,0,0,1|1,0,0]=3 808 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)O 2230a_100000717746_100000182717 [0,1,0,0,0,1|1,0,0]=3 809 B17R1.696 CCN(CC(=O)NC(=O)N)c1cccc(c1)O 269982a_100000717746_100000182717 [0,1,0,0,0,1|1,0,0]=3 810 B17R1.696 CC[C@@H](NC(=O)CC(=O)N)c1cccc(c1)C 240690a_200016991486_100134613110 [0,1,0,0,0,1|1,0,0]=3 811 B17R1.696 CC[C@@H](NC(=O)CC(=O)N)c1cccc(c1)C 527a_200016991486_100134613110 [0,1,0,0,0,1|1,0,0]=3 812 B17R1.696 CC[C@H](NC(=O)CC(=O)N)c1cccc(c1)Br 240690a_100102422761_100134613110 [0,1,0,0,0,1|1,0,0]=3 813 B17R1.696 CC[C@H](NC(=O)CC(=O)N)c1cccc(c1)Br 527a_100102422761_100134613110 [0,1,0,0,0,1|1,0,0]=3 814 B17R1.696 Cc1cccc(c1)[C@@H](CO)NC(=O)CC(=O)N 240690a_100009818812_100134613110 [0,1,0,0,0,1|2,0,0]=4 815 B17R1.696 Cc1cccc(c1)[C@@H](CO)NC(=O)CC(=O)N 527a_100009818812_100134613110 [0,1,0,0,0,1|2,0,0]=4 816 B17R1.696 NC(=O)CC(=O)NC(CO)c1cccc(c1)Br 240690a_100000690078_100134613110 [0,1,0,0,0,1|2,0,0]=4 817 B17R1.696 NC(=O)CC(=O)NC(CO)c1cccc(c1)Br 527a_100000690078_100134613110 [0,1,0,0,0,1|2,0,0]=4 818 B17R1.696 NC(=O)CC(=O)NC(CO)c1cccc(c1)O 240690a_100025717460_100134613110 [0,1,0,0,0,1|2,0,0]=4 819 B17R1.696 NC(=O)CC(=O)NC(CO)c1cccc(c1)O 527a_100025717460_100134613110 [0,1,0,0,0,1|2,0,0]=4 820 B17R1.696 NC(=O)CC(=O)N[C@@H](CO)c1cccc(c1)Cl 240690a_100032004910_100134613110 [0,1,0,0,0,1|2,0,0]=4 821 B17R1.696 NC(=O)CC(=O)N[C@@H](CO)c1cccc(c1)Cl 527a_100032004910_100134613110 [0,1,0,0,0,1|2,0,0]=4 822 B17R1.696 NC(=O)CC(=O)N[C@H](CO)c1cccc(c1)F 240690a_100020641251_100134613110 [0,1,0,0,0,1|2,0,0]=4 823 B17R1.696 NC(=O)CC(=O)N[C@H](CO)c1cccc(c1)F 527a_100020641251_100134613110 [0,1,0,0,0,1|2,0,0]=4 824 B17R1.3104 CCC(c1ccccc1)N(C)C(=O)CC(=O)N 240690a_100000737544_100134613110 [0,1,0,0,0,1|1,0,0]=3 825 B17R1.3104 CCC(c1ccccc1)N(C)C(=O)CC(=O)N 527a_100000737544_100134613110 [0,1,0,0,0,1|1,0,0]=3 826 B17R1.3104 CCC(c1ccccn1)N(C)C(=O)CC(=O)N 240690a_100011351527_100134613110 [0,1,0,0,0,1|2,0,0]=4 827 B17R1.3104 CCC(c1ccccn1)N(C)C(=O)CC(=O)N 527a_100011351527_100134613110 [0,1,0,0,0,1|2,0,0]=4 828 B17R1.3104 CCC(c1cccnc1)N(C)C(=O)CC(=O)N 240690a_200011351541_100134613110 [0,1,0,0,0,1|2,0,0]=4 829 B17R1.3104 CCC(c1cccnc1)N(C)C(=O)CC(=O)N 527a_200011351541_100134613110 [0,1,0,0,0,1|2,0,0]=4 830 B17R1.3104 CCN(c1ccccc1)C(C)C(=O)NC(=O)N 2230a_100000210013_100000183865 [0,1,0,0,0,1|1,0,0]=3 831 B17R1.3104 CCN(c1ccccc1)C(C)C(=O)NC(=O)N 269982a_100000210013_100000183865 [0,1,0,0,0,1|1,0,0]=3 832 B17R1.4449 C=CCN(CC(=O)NC(=O)N)c1ccccc1 2230a_100000211662_100000182717 [0,1,0,0,0,1|1,0,1]=4 833 B17R1.4449 C=CCN(CC(=O)NC(=O)N)c1ccccc1 269982a_100000211662_100000182717 [0,1,0,0,0,1|1,0,1]=4 834 B17R1.4449 CC(=O)NC(=O)CN(CCO)c1ccccc1 269982a_100000211345_100000183797 [0,1,0,0,0,1|2,0,0]=4 835 B17R1.4449 CCCC(NC(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000189681 [0,1,0,0,0,1|2,0,0]=4 836 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1ccccc1 240690a_100000189686_100134613110 [0,1,0,0,0,1|1,0,0]=3 837 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1ccccc1 527a_100000189686_100134613110 [0,1,0,0,0,1|1,0,0]=3 838 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1cccnc1 240690a_100011351308_100134613110 [0,1,0,0,0,1|2,0,0]=4 839 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1cccnc1 527a_100011351308_100134613110 [0,1,0,0,0,1|2,0,0]=4 840 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1ccncc1 240690a_100011351316_100134613110 [0,1,0,0,0,1|2,0,0]=4 841 B17R1.4449 CCCC(NC(=O)CC(=O)N)c1ccncc1 527a_100011351316_100134613110 [0,1,0,0,0,1|2,0,0]=4 842 B17R1.4449 CCCN(CC(=O)NC(=O)C)c1ccccc1 269982a_200011218496_100000183797 [0,1,0,0,0,1|2,0,0]=4 843 B17R1.4449 CCCN(CC(=O)NC(=O)N)c1ccccc1 2230a_200011218496_100000182717 [0,1,0,0,0,1|1,0,0]=3 844 B17R1.4449 CCCN(CC(=O)NC(=O)N)c1ccccc1 269982a_200011218496_100000182717 [0,1,0,0,0,1|1,0,0]=3 845 B17R1.4449 COC[C@@H](NC(=O)CC(=O)N)c1ccccc1 240690a_103619048568_100134613110 [0,1,0,0,0,1|1,0,0]=3 846 B17R1.4449 COC[C@@H](NC(=O)CC(=O)N)c1ccccc1 527a_103619048568_100134613110 [0,1,0,0,0,1|1,0,0]=3 847 B17R1.4449 NC(=O)CC(=O)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100134613110 [0,1,0,0,0,1|1,0,0]=3 848 B17R1.4449 NC(=O)CC(=O)N[C@@H](CCO)c1ccccc1 527a_100025705951_100134613110 [0,1,0,0,0,1|1,0,0]=3 849 B17R1.4449 NC(=O)NC(=O)CN(CCO)c1ccccc1 2230a_100000211345_100000182717 [0,1,0,0,0,1|1,0,0]=3 850 B17R1.4449 NC(=O)NC(=O)CN(CCO)c1ccccc1 269982a_100000211345_100000182717 [0,1,0,0,0,1|1,0,0]=3 851 B17R1.16755 CCC(NC(=O)CC(=O)N)c1ncccc1C 240690a_200011536107_100134613110 [0,1,0,0,0,1|2,0,0]=4 852 B17R1.16755 CCC(NC(=O)CC(=O)N)c1ncccc1C 527a_200011536107_100134613110 [0,1,0,0,0,1|2,0,0]=4 853 B17R1.16755 CCN(CC(=O)NC(=O)C)c1ccccc1Br 269982a_114873767003_100000183797 [0,1,0,0,0,1|2,0,0]=4 854 B17R1.16755 CCN(CC(=O)NC(=O)C)c1ccccc1C 269982a_100000211084_100000183797 [0,1,0,0,0,1|2,0,0]=4 855 B17R1.16755 CCN(CC(=O)NC(=O)C)c1ccccc1F 269982a_100000220365_100000183797 [0,1,0,0,0,1|2,0,0]=4 856 B17R1.16755 CCN(CC(=O)NC(=O)C)c1ccccc1O 269982a_103624766699_100000183797 [0,1,0,0,0,1|2,0,0]=4 857 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1Br 2230a_114873767003_100000182717 [0,1,0,0,0,1|1,0,0]=3 858 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1Br 269982a_114873767003_100000182717 [0,1,0,0,0,1|1,0,0]=3 859 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1C 2230a_100000211084_100000182717 [0,1,0,0,0,1|1,0,0]=3 860 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1C 269982a_100000211084_100000182717 [0,1,0,0,0,1|1,0,0]=3 861 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1F 2230a_100000220365_100000182717 [0,1,0,0,0,1|1,0,0]=3 862 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1F 269982a_100000220365_100000182717 [0,1,0,0,0,1|1,0,0]=3 863 B17R1.16755 CCN(CC(=O)NC(=O)N)c1ccccc1O 269982a_103624766699_100000182717 [0,1,0,0,0,1|1,0,0]=3 864 B17R1.16755 CC[C@H](NC(=O)CC(=O)N)c1ccccc1Cl 240690a_200016987949_100134613110 [0,1,0,0,0,1|1,0,0]=3 865 B17R1.16755 CC[C@H](NC(=O)CC(=O)N)c1ccccc1Cl 527a_200016987949_100134613110 [0,1,0,0,0,1|1,0,0]=3 866 B17R1.16755 CC[C@H](NC(=O)CC(=O)N)c1ccccc1F 240690a_100015190424_100134613110 [0,1,0,0,0,1|1,0,0]=3 867 B17R1.16755 CC[C@H](NC(=O)CC(=O)N)c1ccccc1F 527a_100015190424_100134613110 [0,1,0,0,0,1|1,0,0]=3 868 B17R1.16755 NC(=O)CC(=O)NC(CO)c1ccccc1Cl 240690a_100138412506_100134613110 [0,1,0,0,0,1|2,0,0]=4 869 B17R1.16755 NC(=O)CC(=O)NC(CO)c1ccccc1Cl 527a_100138412506_100134613110 [0,1,0,0,0,1|2,0,0]=4 870 B17R1.16755 NC(=O)CC(=O)N[C@@H](CO)c1ccccc1F 240690a_100009818778_100134613110 [0,1,0,0,0,1|2,0,0]=4 871 B17R1.16755 NC(=O)CC(=O)N[C@@H](CO)c1ccccc1F 527a_100009818778_100134613110 [0,1,0,0,0,1|2,0,0]=4 872 B17R1.16755 NC(=O)CC(=O)N[C@H](CO)c1ccccc1Br 240690a_100161155918_100134613110 [0,1,0,0,0,1|2,0,0]=4 873 B17R1.16755 NC(=O)CC(=O)N[C@H](CO)c1ccccc1Br 527a_100161155918_100134613110 [0,1,0,0,0,1|2,0,0]=4 874 B17R1.16842 CC(C(=O)N)C(=O)CC(CO)c1ccccc1 1458a_106726389045_100000702099 [0,1,0,0,0,1|2,0,0]=4 875 B17R1.16842 NC(=O)C(F)C(=O)CC(CO)c1ccccc1 1458a_106726389045_100009813875 [0,1,0,0,0,1|2,0,0]=4 876 B17R1.24760 CCC(NC(=O)CC(=O)OC)c1ccccc1 240690a_100000737752_100000211351 [0,1,0,0,0,1|2,0,0]=4 877 B17R1.24760 CCN(CC(=O)NC(=O)OC)c1ccccc1 269982a_100000210013_100000010850 [0,1,0,0,0,1|2,0,0]=4 878 B17R1.24760 CNC(=O)CC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000183359 [0,1,0,0,0,1|2,0,0]=4 879 B17R1.62084 CC(=O)NC(=O)CN(c1ccccc1)C(C)C 269982a_100000210572_100000183797 [0,1,0,0,0,1|2,0,0]=4 880 B17R1.62084 CC(=O)NC(=O)CN(c1ccccc1)C(C)C 7a_100000210572_100000183797 [0,1,0,0,0,1|2,0,0]=4 881 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1ccccn1 240690a_100015183375_100134613110 [0,1,0,0,0,1|2,0,0]=4 882 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1ccccn1 527a_100015183375_100134613110 [0,1,0,0,0,1|2,0,0]=4 883 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1cccnc1 240690a_100015185317_100134613110 [0,1,0,0,0,1|2,0,0]=4 884 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1cccnc1 527a_100015185317_100134613110 [0,1,0,0,0,1|2,0,0]=4 885 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1ccncc1 240690a_100000755331_100134613110 [0,1,0,0,0,1|2,0,0]=4 886 B17R1.62084 CC(C)C(NC(=O)CC(=O)N)c1ccncc1 527a_100000755331_100134613110 [0,1,0,0,0,1|2,0,0]=4 887 B17R1.62084 CC(C)N(CC(=O)NC(=O)N)c1ccccc1 2230a_100000210572_100000182717 [0,1,0,0,0,1|1,0,0]=3 888 B17R1.62084 CC(C)N(CC(=O)NC(=O)N)c1ccccc1 269982a_100000210572_100000182717 [0,1,0,0,0,1|1,0,0]=3 889 B17R1.62084 CC(C)N(CC(=O)NC(=O)N)c1ccccc1 7a_100000210572_100000182717 [0,1,0,0,0,1|1,0,0]=3 890 B17R1.62084 CC(C)[C@H](NC(=O)CC(=O)N)c1ccccc1 240690a_100015186014_100134613110 [0,1,0,0,0,1|1,0,0]=3 891 B17R1.62084 CC(C)[C@H](NC(=O)CC(=O)N)c1ccccc1 527a_100015186014_100134613110 [0,1,0,0,0,1|1,0,0]=3 892 B17R1.62084 C[C@H](O)[C@@H](NC(=O)CC(=O)N)c1ccccc1 240690a_100134616770_100134613110 [0,1,0,0,0,1|1,0,0]=3 893 B17R1.62084 C[C@H](O)[C@@H](NC(=O)CC(=O)N)c1ccccc1 527a_100134616770_100134613110 [0,1,0,0,0,1|1,0,0]=3 894 B17R1.787 CCC(Oc1ccccc1)C(=O)C(C)C(=O)C 1458a_100000211556_100000179758 [0,1,0,0,0,1|2,0,0]=4 895 B17R1.787 CCC(Oc1ccccc1)C(=O)C(C)C(=O)N 1458a_100000211556_100000702099 [0,1,0,0,0,1|1,0,0]=3 896 B17R1.787 CCC(Oc1ccccc1)C(=O)C(F)C(=O)N 1458a_100000211556_100009813875 [0,1,0,0,0,1|1,0,0]=3 897 B17R1.787 CCC(Oc1ccccc1)C(=O)C(F)C(=O)[O-] 1458a_100000211556_100020610796 [0,1,0,0,0,1|2,0,0]=4 898 B17R1.787 CCC(Sc1ccccc1)C(=O)C(C)C(=O)C 1458a_100000230495_100000179758 [0,1,0,0,0,1|2,0,0]=4 899 B17R1.787 CCC(Sc1ccccc1)C(=O)C(C)C(=O)N 1458a_100000230495_100000702099 [0,1,0,0,0,1|1,0,0]=3 900 B17R1.787 CCC(Sc1ccccc1)C(=O)C(F)C(=O)N 1458a_100000230495_100009813875 [0,1,0,0,0,1|1,0,0]=3 901 B17R1.787 CCC(Sc1ccccc1)C(=O)C(F)C(=O)[O-] 1458a_100000230495_100020610796 [0,1,0,0,0,1|2,0,0]=4 902 B17R1.1697 CCCN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000184400_100134613110 [0,1,0,0,0,1|2,0,0]=4 903 B17R1.1697 CCCN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000184400_100134613110 [0,1,0,0,0,1|2,0,0]=4 904 B17R1.1697 NC(=O)CC(=O)N(CCO)Cc1ccccc1 240690a_100000180844_100134613110 [0,1,0,0,0,1|2,0,0]=4 905 B17R1.1697 NC(=O)CC(=O)N(CCO)Cc1ccccc1 527a_100000180844_100134613110 [0,1,0,0,0,1|2,0,0]=4 906 B17R1.19522 CCC(Oc1ccc(cc1)C)C(=O)CC(=O)N 1458a_100000216147_100000187820 [0,1,0,0,0,1|1,0,0]=3 907 B17R1.19522 CCC(Oc1ccc(cc1)C)C(=O)CC(=O)[O-] 1458a_100000216147_100020667443 [0,1,0,0,0,1|2,0,0]=4 908 B17R1.19522 CCC(Oc1ccc(cc1)Cl)C(=O)CC(=O)N 1458a_200000205294_100000187820 [0,1,0,0,0,1|1,0,0]=3 909 B17R1.19522 CCC(Oc1ccc(cc1)Cl)C(=O)CC(=O)[O-] 1458a_200000205294_100020667443 [0,1,0,0,0,1|2,0,0]=4 910 B17R1.19522 CCC(Oc1ccc(cc1)F)C(=O)CC(=O)N 1458a_100011202367_100000187820 [0,1,0,0,0,1|1,0,0]=3 911 B17R1.19522 CCC(Oc1ccc(cc1)F)C(=O)CC(=O)[O-] 1458a_100011202367_100020667443 [0,1,0,0,0,1|2,0,0]=4 912 B17R1.19522 CCN(Cc1ccc(cc1)Br)C(=O)CC(=O)N 240690a_100000187385_100134613110 [0,1,0,0,0,1|2,0,0]=4 913 B17R1.19522 CCN(Cc1ccc(cc1)Br)C(=O)CC(=O)N 527a_100000187385_100134613110 [0,1,0,0,0,1|2,0,0]=4 914 B17R1.19522 CCN(Cc1ccc(cc1)C)C(=O)CC(=O)N 240690a_100000180869_100134613110 [0,1,0,0,0,1|2,0,0]=4 915 B17R1.19522 CCN(Cc1ccc(cc1)C)C(=O)CC(=O)N 527a_100000180869_100134613110 [0,1,0,0,0,1|2,0,0]=4 916 B17R1.19522 CCN(Cc1ccc(cc1)Cl)C(=O)CC(=O)N 240690a_100000180830_100134613110 [0,1,0,0,0,1|2,0,0]=4 917 B17R1.19522 CCN(Cc1ccc(cc1)Cl)C(=O)CC(=O)N 527a_100000180830_100134613110 [0,1,0,0,0,1|2,0,0]=4 918 B17R1.19522 CCN(Cc1ccc(cc1)F)C(=O)CC(=O)N 240690a_100015183324_100134613110 [0,1,0,0,0,1|2,0,0]=4 919 B17R1.19522 CCN(Cc1ccc(cc1)F)C(=O)CC(=O)N 527a_100015183324_100134613110 [0,1,0,0,0,1|2,0,0]=4 920 B17R1.19522 CCN(Cc1ccc(cc1)O)C(=O)CC(=O)N 240690a_100000748449_100134613110 [0,1,0,0,0,1|2,0,0]=4 921 B17R1.19665 CCN(Cc1cccc(c1)Br)C(=O)CC(=O)N 240690a_100000187426_100134613110 [0,1,0,0,0,1|2,0,0]=4 922 B17R1.19665 CCN(Cc1cccc(c1)Br)C(=O)CC(=O)N 527a_100000187426_100134613110 [0,1,0,0,0,1|2,0,0]=4 923 B17R1.19665 CCN(Cc1cccc(c1)C)C(=O)CC(=O)N 240690a_102516607250_100134613110 [0,1,0,0,0,1|2,0,0]=4 924 B17R1.19665 CCN(Cc1cccc(c1)C)C(=O)CC(=O)N 527a_102516607250_100134613110 [0,1,0,0,0,1|2,0,0]=4 925 B17R1.19665 CCN(Cc1cccc(c1)Cl)C(=O)CC(=O)N 240690a_100000201194_100134613110 [0,1,0,0,0,1|2,0,0]=4 926 B17R1.19665 CCN(Cc1cccc(c1)Cl)C(=O)CC(=O)N 527a_100000201194_100134613110 [0,1,0,0,0,1|2,0,0]=4 927 B17R1.19665 CCN(Cc1cccc(c1)F)C(=O)CC(=O)N 240690a_100000195558_100134613110 [0,1,0,0,0,1|2,0,0]=4 928 B17R1.19665 CCN(Cc1cccc(c1)F)C(=O)CC(=O)N 527a_100000195558_100134613110 [0,1,0,0,0,1|2,0,0]=4 929 B17R1.19665 CCN(Cc1cccc(c1)O)C(=O)CC(=O)N 240690a_100000201218_100134613110 [0,1,0,0,0,1|2,0,0]=4 930 B17R1.19665 CCN(Cc1cccc(c1)O)C(=O)CC(=O)N 527a_100000201218_100134613110 [0,1,0,0,0,1|2,0,0]=4 931 B17R1.19811 CCC(Oc1ccccc1)C(=O)CS(=O)(=O)N 1458a_100000211556_100000741382 [0,1,0,0,0,1|2,0,0]=4 932 B17R1.19811 CCC(Oc1ccccc1)C(=O)NS(=O)(=O)C 2740a_100000171171_100000211556 [0,1,0,0,0,1|2,0,0]=4 933 B17R1.19811 CCC(Sc1ccccc1)C(=O)CS(=O)(=O)N 1458a_100000230495_100000741382 [0,1,0,0,0,1|2,0,0]=4 934 B17R1.19811 CCC(Sc1ccccc1)C(=O)NS(=O)(=O)C 2740a_100000171171_100000230495 [0,1,0,0,0,1|2,0,0]=4 935 B17R1.19812 CCC(Oc1ccccc1Cl)C(=O)CC(=O)N 1458a_100000205292_100000187820 [0,1,0,0,0,1|1,0,0]=3 936 B17R1.19812 CCC(Oc1ccccc1Cl)C(=O)CC(=O)[O-] 1458a_100000205292_100020667443 [0,1,0,0,0,1|2,0,0]=4 937 B17R1.19812 CCN(Cc1ccccc1C)C(=O)CC(=O)N 240690a_100000201206_100134613110 [0,1,0,0,0,1|2,0,0]=4 938 B17R1.19812 CCN(Cc1ccccc1C)C(=O)CC(=O)N 527a_100000201206_100134613110 [0,1,0,0,0,1|2,0,0]=4 939 B17R1.19812 CCN(Cc1ccccc1Cl)C(=O)CC(=O)N 240690a_100000201176_100134613110 [0,1,0,0,0,1|2,0,0]=4 940 B17R1.19812 CCN(Cc1ccccc1Cl)C(=O)CC(=O)N 527a_100000201176_100134613110 [0,1,0,0,0,1|2,0,0]=4 941 B17R1.19812 CCN(Cc1ccccc1F)C(=O)CC(=O)N 240690a_100015186831_100134613110 [0,1,0,0,0,1|2,0,0]=4 942 B17R1.19812 CCN(Cc1ccccc1F)C(=O)CC(=O)N 527a_100015186831_100134613110 [0,1,0,0,0,1|2,0,0]=4 943 B17R1.19812 CCN(Cc1ccccc1O)C(=O)CC(=O)N 240690a_100011223546_100134613110 [0,1,0,0,0,1|2,0,0]=4 944 B17R1.19812 CCN(Cc1ccccc1O)C(=O)CC(=O)N 527a_100011223546_100134613110 [0,1,0,0,0,1|2,0,0]=4 945 B17R1.25019 CCC(=O)CC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000747405 [0,1,0,0,0,1|2,0,0]=4 946 B17R1.25019 CCC(=O)CC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000747405 [0,1,0,0,0,1|2,0,0]=4 947 B17R1.25019 CCC(Oc1ccccc1)C(=O)CC(=O)NC 1458a_100000211556_100000183359 [0,1,0,0,0,1|1,0,0]=3 948 B17R1.25019 CCC(Oc1ccccc1)C(=O)CC(=O)OC 1458a_100000211556_100000747449 [0,1,0,0,0,1|2,0,0]=4 949 B17R1.25019 CCC(Sc1ccccc1)C(=O)CC(=O)NC 1458a_100000230495_100000183359 [0,1,0,0,0,1|1,0,0]=3 950 B17R1.25019 CCC(Sc1ccccc1)C(=O)CC(=O)OC 1458a_100000230495_100000747449 [0,1,0,0,0,1|2,0,0]=4 951 B17R1.26402 CC(C)C(Oc1ccccc1)C(=O)NC(=O)N 7a_100000210340_100000183455 [0,1,0,0,0,1|0,0,0]=2 952 B17R1.26402 CC(C)C(Oc1cccnc1)C(=O)NC(=O)N 7a_100000210849_100000183455 [0,1,0,0,0,1|1,0,0]=3 953 B17R1.26402 CC(C)C(Oc1cncnc1)C(=O)NC(=O)N 7a_100000754086_100000183455 [0,1,0,0,0,1|2,0,0]=4 954 B17R1.26402 CC(C)C(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000750438_100000187820 [0,1,0,0,0,1|1,0,0]=3 955 B17R1.26402 CC(C)C(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000750438_100020667443 [0,1,0,0,0,1|2,0,0]=4 956 B17R1.26402 CC(C)C(Sc1ccccc1)C(=O)NC(=O)N 62a_100000183455_100000041952 [0,1,0,0,0,1|0,0,0]=2 957 B17R1.26402 CC(C)C(Sc1ccccc1)C(=O)NC(=O)N 62a_100000719477_100000183455 [0,1,0,0,0,1|0,0,0]=2 958 B17R1.26402 CC(C)C(Sc1ccccn1)C(=O)NC(=O)N 62a_100000183455_100011216584 [0,1,0,0,0,1|1,0,0]=3 959 B17R1.26402 CC(C)C(Sc1ccccn1)C(=O)NC(=O)N 62a_100011216584_100000183455 [0,1,0,0,0,1|1,0,0]=3 960 B17R1.26402 CC(C)C(Sc1cccnc1)C(=O)NC(=O)N 62a_100000183455_100000210063 [0,1,0,0,0,1|1,0,0]=3 961 B17R1.26402 CC(C)C(Sc1cccnc1)C(=O)NC(=O)N 62a_100000210063_100000183455 [0,1,0,0,0,1|1,0,0]=3 962 B17R1.26402 CC(C)C(Sc1cccnn1)C(=O)NC(=O)N 62a_100000183455_100016991348 [0,1,0,0,0,1|2,0,0]=4 963 B17R1.26402 CC(C)C(Sc1cccnn1)C(=O)NC(=O)N 62a_100016991348_100000183455 [0,1,0,0,0,1|2,0,0]=4 964 B17R1.26402 CC(C)C(Sc1ccncc1)C(=O)NC(=O)N 62a_100000183455_100000728582 [0,1,0,0,0,1|1,0,0]=3 965 B17R1.26402 CC(C)C(Sc1ccncc1)C(=O)NC(=O)N 62a_100000728582_100000183455 [0,1,0,0,0,1|1,0,0]=3 966 B17R1.26402 CC(C)C(Sc1ccncn1)C(=O)NC(=O)N 62a_100000183455_100000703185 [0,1,0,0,0,1|2,0,0]=4 967 B17R1.26402 CC(C)C(Sc1ccncn1)C(=O)NC(=O)N 62a_100000703185_100000183455 [0,1,0,0,0,1|2,0,0]=4 968 B17R1.26402 CC(C)C(Sc1ccnnc1)C(=O)NC(=O)N 62a_100000183455_100000732662 [0,1,0,0,0,1|2,0,0]=4 969 B17R1.26402 CC(C)C(Sc1ccnnc1)C(=O)NC(=O)N 62a_100000732662_100000183455 [0,1,0,0,0,1|2,0,0]=4 970 B17R1.26402 CC(C)C(Sc1cnccn1)C(=O)NC(=O)N 62a_100000183455_100000211759 [0,1,0,0,0,1|2,0,0]=4 971 B17R1.26402 CC(C)C(Sc1cnccn1)C(=O)NC(=O)N 62a_100000211759_100000183455 [0,1,0,0,0,1|2,0,0]=4 972 B17R1.26402 CC(C)C(Sc1cncnc1)C(=O)NC(=O)N 62a_100000183455_100011206942 [0,1,0,0,0,1|2,0,0]=4 973 B17R1.26402 CC(C)C(Sc1cncnc1)C(=O)NC(=O)N 62a_100011206942_100000183455 [0,1,0,0,0,1|2,0,0]=4 974 B17R1.26402 CC(C)C(Sc1ncccn1)C(=O)NC(=O)N 62a_100000183455_100000211032 [0,1,0,0,0,1|2,0,0]=4 975 B17R1.26402 CC(C)C(Sc1ncccn1)C(=O)NC(=O)N 62a_100000211032_100000183455 [0,1,0,0,0,1|2,0,0]=4 976 B17R1.26402 CC(C)N(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000068392_100134613110 [0,1,0,0,0,1|2,0,0]=4 977 B17R1.26402 CN(C)[C@@H](Cc1ccccc1)C(=O)CC(=O)N 1458a_102495365803_100000187820 [0,1,0,0,0,1|2,0,0]=4 978 B17R1.757 C=CCN(C(=O)CNC(=O)N)c1ccccc1 22a_100000211662_100000184981 [0,1,0,0,0,1|1,0,1]=4 979 B17R1.757 CC(=O)NCC(=O)C(CCCl)c1ccccc1 1458a_100000194580_200010132975 [0,1,0,0,0,1|1,0,0]=3 980 B17R1.757 CC(=O)NCC(=O)N(CCO)c1ccccc1 22a_100000211345_100000194580 [0,1,0,0,0,1|2,0,0]=4 981 B17R1.757 CC(=O)OCC(=O)C(CCCl)c1ccccc1 1458a_100000183556_200010132975 [0,1,0,0,0,1|2,0,0]=4 982 B17R1.757 CC(=O)SCC(=O)C(CCCl)c1ccccc1 1458a_100000049016_200010132975 [0,1,0,0,0,1|2,0,0]=4 983 B17R1.757 CCCN(C(=O)CCC(=O)N)c1ccccc1 22a_200011218496_100011215257 [0,1,0,0,0,1|2,0,0]=4 984 B17R1.757 CCCN(C(=O)CNC(=O)C)c1ccccc1 11a_200011218496_100000194580 [0,1,0,0,0,1|2,0,0]=4 985 B17R1.757 CCCN(C(=O)CNC(=O)C)c1ccccc1 1626a_200011218496_100000194580 [0,1,0,0,0,1|2,0,0]=4 986 B17R1.757 CCCN(C(=O)CNC(=O)C)c1ccccc1 22a_200011218496_100000194580 [0,1,0,0,0,1|2,0,0]=4 987 B17R1.757 CCCN(C(=O)CNC(=O)N)c1ccccc1 22a_200011218496_100000184981 [0,1,0,0,0,1|1,0,0]=3 988 B17R1.757 CCN[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_100000210202 [0,1,0,0,0,1|1,0,0]=3 989 B17R1.757 NC(=O)CCC(=O)C(CCCl)c1ccccc1 1458a_100011215257_200010132975 [0,1,0,0,0,1|1,0,0]=3 990 B17R1.757 NC(=O)CCC(=O)N(CCO)c1ccccc1 22a_100000211345_100011215257 [0,1,0,0,0,1|2,0,0]=4 991 B17R1.757 NC(=O)NCC(=O)C(CCCl)c1ccccc1 1458a_100000184981_200010132975 [0,1,0,0,0,1|0,0,0]=2 992 B17R1.757 NC(=O)NCC(=O)N(CCO)c1ccccc1 22a_100000211345_100000184981 [0,1,0,0,0,1|1,0,0]=3 993 B17R1.757 O=C(O)CNC(=O)[C@@H](NCF)c1ccccc1 269956a_200012352031_100015361967 [0,1,0,0,0,1|2,0,0]=4 994 B17R1.2592 C=C(C)CNC(=O)C(CC)c1ccc(cc1)Br 11a_100000765925_100011934198 [0,1,0,0,0,1|2,0,0]=4 995 B17R1.2592 C=C(C)CNC(=O)C(CC)c1ccc(cc1)Br 1626a_100000765925_100011934198 [0,1,0,0,0,1|2,0,0]=4 996 B17R1.2592 C=C(C)CNC(=O)C(CC)c1ccc(cc1)Br 240690a_100000765925_100011934198 [0,1,0,0,0,1|2,0,0]=4 997 B17R1.2592 C=C(C)CNC(=O)C(CC)c1ccc(cc1)Br 527a_100000765925_100011934198 [0,1,0,0,0,1|2,0,0]=4 998 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 11a_100000711301_100011934198 [0,1,0,0,0,1|0,0,0]=2 999 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 240690a_100000711301_100011934198 [0,1,0,0,0,1|0,0,0]=2 1000 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 527a_100000711301_100011934198 [0,1,0,0,0,1|0,0,0]=2 1001 B17R1.2592 CCC(C(=O)NNC(=O)C)c1ccc(cc1)Br 22a_100000189765_100011934198 [0,1,0,0,0,1|1,0,0]=3 1002 B17R1.2592 CCN(C(=O)CCC(=O)N)c1ccc(cc1)Br 22a_100000219632_100011215257 [0,1,0,0,0,1|2,0,0]=4 1003 B17R1.2592 CCN(C(=O)CCC(=O)N)c1ccc(cc1)C 22a_100000219985_100011215257 [0,1,0,0,0,1|2,0,0]=4 1004 B17R1.2592 CCN(C(=O)CCC(=O)N)c1ccc(cc1)Cl 22a_100000220165_100011215257 [0,1,0,0,0,1|2,0,0]=4 1005 B17R1.2592 CCN(C(=O)CCC(=O)N)c1ccc(cc1)F 22a_100102640331_100011215257 [0,1,0,0,0,1|2,0,0]=4 1006 B17R1.2592 CCN(C(=O)CCC(=O)N)c1ccc(cc1)O 22a_100011337800_100011215257 [0,1,0,0,0,1|2,0,0]=4 1007 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Br 11a_100000219632_100000194580 [0,1,0,0,0,1|2,0,0]=4 1008 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Br 1626a_100000219632_100000194580 [0,1,0,0,0,1|2,0,0]=4 1009 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Br 22a_100000219632_100000194580 [0,1,0,0,0,1|2,0,0]=4 1010 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)C 11a_100000219985_100000194580 [0,1,0,0,0,1|2,0,0]=4 1011 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)C 1626a_100000219985_100000194580 [0,1,0,0,0,1|2,0,0]=4 1012 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)C 22a_100000219985_100000194580 [0,1,0,0,0,1|2,0,0]=4 1013 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Cl 11a_100000220165_100000194580 [0,1,0,0,0,1|2,0,0]=4 1014 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Cl 1626a_100000220165_100000194580 [0,1,0,0,0,1|2,0,0]=4 1015 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)Cl 22a_100000220165_100000194580 [0,1,0,0,0,1|2,0,0]=4 1016 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)F 11a_100102640331_100000194580 [0,1,0,0,0,1|2,0,0]=4 1017 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)F 1626a_100102640331_100000194580 [0,1,0,0,0,1|2,0,0]=4 1018 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)F 22a_100102640331_100000194580 [0,1,0,0,0,1|2,0,0]=4 1019 B17R1.2592 CCN(C(=O)CNC(=O)C)c1ccc(cc1)O 22a_100011337800_100000194580 [0,1,0,0,0,1|2,0,0]=4 1020 B17R1.2592 CCN(C(=O)CNC(=O)N)c1ccc(cc1)Br 22a_100000219632_100000184981 [0,1,0,0,0,1|1,0,0]=3 1021 B17R1.2592 CCN(C(=O)CNC(=O)N)c1ccc(cc1)C 22a_100000219985_100000184981 [0,1,0,0,0,1|1,0,0]=3 1022 B17R1.2592 CCN(C(=O)CNC(=O)N)c1ccc(cc1)Cl 22a_100000220165_100000184981 [0,1,0,0,0,1|1,0,0]=3 1023 B17R1.2592 CCN(C(=O)CNC(=O)N)c1ccc(cc1)F 22a_100102640331_100000184981 [0,1,0,0,0,1|1,0,0]=3 1024 B17R1.2592 CCN(C(=O)CNC(=O)N)c1ccc(cc1)O 22a_100011337800_100000184981 [0,1,0,0,0,1|1,0,0]=3 1025 B17R1.2592 CCN(C(=O)NCC(=O)N)c1ccc(cc1)Br 512a_100000219632_100000711301 [0,1,0,0,0,1|1,0,0]=3 1026 B17R1.2592 COC(C(=O)NCC(=O)N)c1ccc(cc1)Cl 11a_100000711301_100012350483 [0,1,0,0,0,1|1,0,0]=3 1027 B17R1.2592 COC(C(=O)NCC(=O)N)c1ccc(cc1)Cl 240690a_100000711301_100012350483 [0,1,0,0,0,1|1,0,0]=3 1028 B17R1.2592 COC(C(=O)NCC(=O)N)c1ccc(cc1)Cl 527a_100000711301_100012350483 [0,1,0,0,0,1|1,0,0]=3 1029 B17R1.2592 COC(C(=O)NNC(=O)C)c1ccc(cc1)Cl 22a_100000189765_100012350483 [0,1,0,0,0,1|2,0,0]=4 1030 B17R1.2938 CCN(C(=O)CCC(=O)N)c1cccc(c1)Br 22a_100000738899_100011215257 [0,1,0,0,0,1|2,0,0]=4 1031 B17R1.2938 CCN(C(=O)CCC(=O)N)c1cccc(c1)C 22a_100000182157_100011215257 [0,1,0,0,0,1|2,0,0]=4 1032 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)Br 11a_100000738899_100000194580 [0,1,0,0,0,1|2,0,0]=4 1033 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)Br 1626a_100000738899_100000194580 [0,1,0,0,0,1|2,0,0]=4 1034 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)Br 22a_100000738899_100000194580 [0,1,0,0,0,1|2,0,0]=4 1035 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)C 11a_100000182157_100000194580 [0,1,0,0,0,1|2,0,0]=4 1036 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)C 1626a_100000182157_100000194580 [0,1,0,0,0,1|2,0,0]=4 1037 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)C 22a_100000182157_100000194580 [0,1,0,0,0,1|2,0,0]=4 1038 B17R1.2938 CCN(C(=O)CNC(=O)C)c1cccc(c1)O 1626a_100000717746_100000194580 [0,1,0,0,0,1|2,0,0]=4 1039 B17R1.2938 CCN(C(=O)CNC(=O)N)c1cccc(c1)Br 22a_100000738899_100000184981 [0,1,0,0,0,1|1,0,0]=3 1040 B17R1.2938 CCN(C(=O)CNC(=O)N)c1cccc(c1)C 22a_100000182157_100000184981 [0,1,0,0,0,1|1,0,0]=3 1041 B17R1.2938 CCN(C(=O)NCC(=O)N)c1cccc(c1)Br 512a_100000738899_100000711301 [0,1,0,0,0,1|1,0,0]=3 1042 B17R1.2938 CCN(C(=O)NCC(=O)N)c1cccc(c1)C 512a_100000182157_100000711301 [0,1,0,0,0,1|1,0,0]=3 1043 B17R1.2938 CCN(C(=O)NCC(=O)N)c1cccc(c1)O 512a_100000717746_100000711301 [0,1,0,0,0,1|1,0,0]=3 1044 B17R1.2938 COC(C(=O)NCC(=O)N)c1cccc(c1)Cl 11a_100000711301_100012350482 [0,1,0,0,0,1|1,0,0]=3 1045 B17R1.2938 COC(C(=O)NCC(=O)N)c1cccc(c1)Cl 240690a_100000711301_100012350482 [0,1,0,0,0,1|1,0,0]=3 1046 B17R1.2938 COC(C(=O)NCC(=O)N)c1cccc(c1)Cl 527a_100000711301_100012350482 [0,1,0,0,0,1|1,0,0]=3 1047 B17R1.2938 COC(C(=O)NNC(=O)C)c1cccc(c1)Cl 22a_100000189765_100012350482 [0,1,0,0,0,1|2,0,0]=4 1048 B17R1.3105 CCC(C(=O)CC(=O)C(=O)C)c1ccccc1 1458a_100000211302_100011261029 [0,1,0,0,0,1|2,0,0]=4 1049 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 11a_100000119354_100000211302 [0,1,0,0,0,1|0,0,0]=2 1050 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 240690a_100000119354_100000211302 [0,1,0,0,0,1|0,0,0]=2 1051 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 527a_100000119354_100000211302 [0,1,0,0,0,1|0,0,0]=2 1052 B17R1.3105 CCN(C(=O)CN(C)C(=O)C)c1ccccc1 11a_100000210013_100000194957 [0,1,0,0,0,1|2,0,0]=4 1053 B17R1.3105 CCN(C(=O)CN(C)C(=O)C)c1ccccc1 1626a_100000210013_100000194957 [0,1,0,0,0,1|2,0,0]=4 1054 B17R1.3105 CCN(C(=O)CN(C)C(=O)C)c1ccccc1 22a_100000210013_100000194957 [0,1,0,0,0,1|2,0,0]=4 1055 B17R1.3105 CCN(C(=O)CN(C)C(=O)N)c1ccccc1 22a_100000210013_100000218718 [0,1,0,0,0,1|1,0,0]=3 1056 B17R1.3105 CO[C@@H](C(=O)N[C@H](C)C(=O)N)c1ccccc1 11a_100000119354_100000698336 [0,1,0,0,0,1|1,0,0]=3 1057 B17R1.3105 CO[C@@H](C(=O)N[C@H](C)C(=O)N)c1ccccc1 240690a_100000119354_100000698336 [0,1,0,0,0,1|1,0,0]=3 1058 B17R1.3105 CO[C@@H](C(=O)N[C@H](C)C(=O)N)c1ccccc1 527a_100000119354_100000698336 [0,1,0,0,0,1|1,0,0]=3 1059 B17R1.3105 C[C@@H](NC(=O)C(CO)c1ccccc1)C(=O)N 240690a_100000119354_100011218805 [0,1,0,0,0,1|1,0,0]=3 1060 B17R1.3109 C=C(C)CNC(=O)C(CC)c1ccccc1Cl 11a_100000765925_100011667493 [0,1,0,0,0,1|2,0,0]=4 1061 B17R1.3109 C=C(C)CNC(=O)C(CC)c1ccccc1Cl 1626a_100000765925_100011667493 [0,1,0,0,0,1|2,0,0]=4 1062 B17R1.3109 C=C(C)CNC(=O)C(CC)c1ccccc1Cl 240690a_100000765925_100011667493 [0,1,0,0,0,1|2,0,0]=4 1063 B17R1.3109 C=C(C)CNC(=O)C(CC)c1ccccc1Cl 527a_100000765925_100011667493 [0,1,0,0,0,1|2,0,0]=4 1064 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 11a_100000711301_100011667493 [0,1,0,0,0,1|0,0,0]=2 1065 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 240690a_100000711301_100011667493 [0,1,0,0,0,1|0,0,0]=2 1066 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 527a_100000711301_100011667493 [0,1,0,0,0,1|0,0,0]=2 1067 B17R1.3109 CCC(C(=O)NNC(=O)C)c1ccccc1Cl 22a_100000189765_100011667493 [0,1,0,0,0,1|1,0,0]=3 1068 B17R1.3109 CCN(C(=O)CCC(=O)N)c1ccccc1C 22a_100000211084_100011215257 [0,1,0,0,0,1|2,0,0]=4 1069 B17R1.3109 CCN(C(=O)CCC(=O)N)c1ccccc1O 22a_103624766699_100011215257 [0,1,0,0,0,1|2,0,0]=4 1070 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1Br 11a_114873767003_100000194580 [0,1,0,0,0,1|2,0,0]=4 1071 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1Br 1626a_114873767003_100000194580 [0,1,0,0,0,1|2,0,0]=4 1072 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1C 11a_100000211084_100000194580 [0,1,0,0,0,1|2,0,0]=4 1073 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1C 1626a_100000211084_100000194580 [0,1,0,0,0,1|2,0,0]=4 1074 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1C 22a_100000211084_100000194580 [0,1,0,0,0,1|2,0,0]=4 1075 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1F 11a_100000220365_100000194580 [0,1,0,0,0,1|2,0,0]=4 1076 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1F 1626a_100000220365_100000194580 [0,1,0,0,0,1|2,0,0]=4 1077 B17R1.3109 CCN(C(=O)CNC(=O)C)c1ccccc1O 22a_103624766699_100000194580 [0,1,0,0,0,1|2,0,0]=4 1078 B17R1.3109 CCN(C(=O)CNC(=O)N)c1ccccc1C 22a_100000211084_100000184981 [0,1,0,0,0,1|1,0,0]=3 1079 B17R1.3109 CCN(C(=O)CNC(=O)N)c1ccccc1O 22a_103624766699_100000184981 [0,1,0,0,0,1|1,0,0]=3 1080 B17R1.3109 CCN(C(=O)NCC(=O)N)c1ccccc1Br 512a_114873767003_100000711301 [0,1,0,0,0,1|1,0,0]=3 1081 B17R1.3109 CCN(C(=O)NCC(=O)N)c1ccccc1C 512a_100000211084_100000711301 [0,1,0,0,0,1|1,0,0]=3 1082 B17R1.3109 CCN(C(=O)NCC(=O)N)c1ccccc1F 512a_100000220365_100000711301 [0,1,0,0,0,1|1,0,0]=3 1083 B17R1.3109 CCN(C(=O)NNC(=O)C)c1ccccc1C 512a_100000189765_100000211084 [0,1,0,0,0,1|2,0,0]=4 1084 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1C 11a_100000711301_100012277922 [0,1,0,0,0,1|1,0,0]=3 1085 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1C 240690a_100000711301_100012277922 [0,1,0,0,0,1|1,0,0]=3 1086 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1C 527a_100000711301_100012277922 [0,1,0,0,0,1|1,0,0]=3 1087 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1F 11a_100000711301_100012277919 [0,1,0,0,0,1|1,0,0]=3 1088 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1F 240690a_100000711301_100012277919 [0,1,0,0,0,1|1,0,0]=3 1089 B17R1.3109 COC(C(=O)NCC(=O)N)c1ccccc1F 527a_100000711301_100012277919 [0,1,0,0,0,1|1,0,0]=3 1090 B17R1.3109 COC(C(=O)NNC(=O)C)c1ccccc1C 22a_100000189765_100012277922 [0,1,0,0,0,1|2,0,0]=4 1091 B17R1.3109 COC(C(=O)NNC(=O)C)c1ccccc1F 22a_100000189765_100012277919 [0,1,0,0,0,1|2,0,0]=4 1092 B17R1.3112 CCC(C(=O)NNS(=O)(=O)C)c1ccccc1 40a_100000189840_100000738038 [0,1,0,0,0,1|2,0,0]=4 1093 B17R1.6453 C=C(C)CNC(=O)C(O)(CC)c1ccccc1 240690a_100000765925_100011434905 [0,1,0,0,0,1|2,0,0]=4 1094 B17R1.6453 CCC(O)(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100011434905 [0,1,0,0,0,1|0,0,0]=2 1095 B17R1.6453 CCC(O)(C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100011434905 [0,1,0,0,0,1|1,0,0]=3 1096 B17R1.9046 C#CC(=NNC(=O)C(CC)c1ccccc1)C 4a_100000189840_100000690481 [0,1,0,0,0,1|2,0,0]=4 1097 B17R1.9046 C=CC(=NNC(=O)C(CC)c1ccccc1)C 4a_100000189840_200015361842 [0,1,0,0,0,1|2,0,0]=4 1098 B17R1.9046 C=CC(=O)NCC(=O)N(CC)c1ccccc1 11a_100000210013_200011222540 [0,1,0,0,0,1|2,0,0]=4 1099 B17R1.9046 C=CC(=O)NCC(=O)N(CC)c1ccccc1 22a_100000210013_200011222540 [0,1,0,0,0,1|2,0,0]=4 1100 B17R1.9046 C=CC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000189840_100000185746 [0,1,0,0,0,1|1,0,0]=3 1101 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 11a_100000210013_100000194589 [0,1,0,0,0,1|2,0,0]=4 1102 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000194589 [0,1,0,0,0,1|2,0,0]=4 1103 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 22a_100000210013_100000194589 [0,1,0,0,0,1|2,0,0]=4 1104 B17R1.9046 CCC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000183195_100000211302 [0,1,0,0,0,1|1,0,0]=3 1105 B17R1.9046 CCC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000189840_100000210414 [0,1,0,0,0,1|1,0,0]=3 1106 B17R1.9046 CCC(=O)NNC(=O)C(CO)c1ccccc1 22a_100000183195_100011218805 [0,1,0,0,0,1|2,0,0]=4 1107 B17R1.9046 CCC(=O)NNC(=O)[C@H](OC)c1ccccc1 22a_100000183195_100000698336 [0,1,0,0,0,1|2,0,0]=4 1108 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 11a_100000693194_100000211302 [0,1,0,0,0,1|0,0,0]=2 1109 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 240690a_100000693194_100000211302 [0,1,0,0,0,1|0,0,0]=2 1110 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 527a_100000693194_100000211302 [0,1,0,0,0,1|0,0,0]=2 1111 B17R1.9046 CCC(C(=O)NCC(=O)OC)c1ccccc1 188690a_100000185156_100000211302 [0,1,0,0,0,1|1,0,0]=3 1112 B17R1.9046 CCC(C(=O)NN=C(C)CF)c1ccccc1 4a_100000189840_100000039719 [0,1,0,0,0,1|2,0,0]=4 1113 B17R1.9046 CCC(C(=O)NN=C(C)CO)c1ccccc1 4a_100000189840_100000211253 [0,1,0,0,0,1|1,0,1]=4 1114 B17R1.9046 CCC(C(=O)NNC(=O)CO)c1ccccc1 22a_100000189840_100000210174 [0,1,0,0,0,1|1,0,0]=3 1115 B17R1.9046 CCC(C(=O)NNC(=O)NC)c1ccccc1 273464a_100102657272_100000189840 [0,1,0,0,0,1|0,0,0]=2 1116 B17R1.9046 CCC(C(=O)NNC(=O)NC)c1ccccc1 512a_106832991638_100000189840 [0,1,0,0,0,1|0,0,0]=2 1117 B17R1.9046 CCN(C(=O)C=CC(=O)NC)c1ccccc1 1626a_100000210013_100016259477 [0,1,0,0,0,1|2,0,0]=4 1118 B17R1.9046 CCN(C(=O)C=CC(=O)NC)c1ccccc1 22a_100000210013_100016259477 [0,1,0,0,0,1|2,0,0]=4 1119 B17R1.9046 CCN(C(=O)CCC(=O)NC)c1ccccc1 11a_100000210013_100011309844 [0,1,0,0,0,1|2,0,0]=4 1120 B17R1.9046 CCN(C(=O)CCC(=O)NC)c1ccccc1 1626a_100000210013_100011309844 [0,1,0,0,0,1|2,0,0]=4 1121 B17R1.9046 CCN(C(=O)CCC(=O)NC)c1ccccc1 22a_100000210013_100011309844 [0,1,0,0,0,1|2,0,0]=4 1122 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 11a_100000210013_100000215747 [0,1,0,0,0,1|2,0,0]=4 1123 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 1626a_100000210013_100000215747 [0,1,0,0,0,1|2,0,0]=4 1124 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 22a_100000210013_100000215747 [0,1,0,0,0,1|2,0,0]=4 1125 B17R1.9046 CNC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000693194_100011218805 [0,1,0,0,0,1|1,0,0]=3 1126 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 11a_100000693194_100000698336 [0,1,0,0,0,1|1,0,0]=3 1127 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 240690a_100000693194_100000698336 [0,1,0,0,0,1|1,0,0]=3 1128 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 527a_100000693194_100000698336 [0,1,0,0,0,1|1,0,0]=3 1129 B17R1.9046 COC(=O)CNC(=O)C(CO)c1ccccc1 188690a_100000185156_100011218805 [0,1,0,0,0,1|2,0,0]=4 1130 B17R1.9046 COC(=O)CNC(=O)[C@H](OC)c1ccccc1 188690a_100000185156_100000698336 [0,1,0,0,0,1|2,0,0]=4 1131 B17R1.151281 C=C(C)CNC(=O)C(c1ccccc1)C(C)C 11a_100000765925_100000764467 [0,1,0,0,0,1|2,0,0]=4 1132 B17R1.151281 C=C(C)CNC(=O)C(c1ccccc1)C(C)C 1626a_100000765925_100000764467 [0,1,0,0,0,1|2,0,0]=4 1133 B17R1.151281 C=C(C)CNC(=O)C(c1ccccc1)C(C)C 240690a_100000765925_100000764467 [0,1,0,0,0,1|2,0,0]=4 1134 B17R1.151281 C=C(C)CNC(=O)C(c1ccccc1)C(C)C 527a_100000765925_100000764467 [0,1,0,0,0,1|2,0,0]=4 1135 B17R1.151281 CC(=O)C(C(=O)CCC(=O)N)c1ccccc1 1458a_100011215257_100009888967 [0,1,0,0,0,1|1,0,1]=4 1136 B17R1.151281 CC(=O)C(C(=O)CNC(=O)N)c1ccccc1 1458a_100000184981_100009888967 [0,1,0,0,0,1|0,0,1]=3 1137 B17R1.151281 CC(=O)NCC(=O)C(C(=O)C)c1ccccc1 1458a_100000194580_100009888967 [0,1,0,0,0,1|1,0,1]=4 1138 B17R1.151281 CC(=O)NCC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100000194580 [0,1,0,0,0,1|2,0,0]=4 1139 B17R1.151281 CC(=O)NCC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000194580 [0,1,0,0,0,1|2,0,0]=4 1140 B17R1.151281 CC(=O)NNC(=O)C(c1ccccc1)C(C)C 22a_100000189765_100000764467 [0,1,0,0,0,1|1,0,0]=3 1141 B17R1.151281 CC(=O)NNC(=O)C(c1ccccc1)N(C)C 22a_100000189765_100000743987 [0,1,0,0,0,1|2,0,0]=4 1142 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000764467 [0,1,0,0,0,1|0,0,0]=2 1143 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000764467 [0,1,0,0,0,1|0,0,0]=2 1144 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000764467 [0,1,0,0,0,1|0,0,0]=2 1145 B17R1.151281 CC(C)N(C(=O)NCC(=O)N)c1ccccc1 512a_100000210572_100000711301 [0,1,0,0,0,1|1,0,0]=3 1146 B17R1.151281 CN(C)C(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000743987 [0,1,0,0,0,1|1,0,0]=3 1147 B17R1.151281 CN(C)C(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000743987 [0,1,0,0,0,1|1,0,0]=3 1148 B17R1.151281 CN(C)C(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000743987 [0,1,0,0,0,1|1,0,0]=3 1149 B17R1.151281 NC(=O)NCC(=O)C(C(=O)N)c1ccccc1 1458a_100000184981_100000188848 [0,1,0,0,0,1|1,0,1]=4 1150 B17R1.55 C#CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000038162_100000010812 [0,2,0,0,0,0|0,0,1]=3 1151 B17R1.55 C=CCNC(C(=O)NC(=O)N)c1ccccc1 2230a_100020586998_100000010812 [0,2,0,0,0,0|0,0,1]=3 1152 B17R1.55 C=CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000210623 [0,2,0,0,0,0|0,0,1]=3 1153 B17R1.55 C=CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000210623_100000010812 [0,2,0,0,0,0|0,0,1]=3 1154 B17R1.55 CCCCN(C(=O)CC(=O)N)c1ccccc1 22a_100000211623_100134613110 [0,2,0,0,0,0|2,0,0]=4 1155 B17R1.55 CCCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000210303 [0,2,0,0,0,0|0,0,0]=2 1156 B17R1.55 CCCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000210303_100000010812 [0,2,0,0,0,0|0,0,0]=2 1157 B17R1.55 COCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000766300 [0,2,0,0,0,0|0,0,0]=2 1158 B17R1.55 COCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000766300_100000010812 [0,2,0,0,0,0|0,0,0]=2 1159 B17R1.55 CSCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100011218213 [0,2,0,0,0,0|0,0,0]=2 1160 B17R1.55 CSCSC(C(=O)NC(=O)N)c1ccccc1 62a_100011218213_100000010812 [0,2,0,0,0,0|0,0,0]=2 1161 B17R1.55 N#CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100011215382 [0,2,0,0,0,0|0,0,1]=3 1162 B17R1.55 N#CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100011215382_100000010812 [0,2,0,0,0,0|0,0,1]=3 1163 B17R1.55 NC(=O)CC(=O)N(CCCO)c1ccccc1 22a_100000212590_100134613110 [0,2,0,0,0,0|2,0,0]=4 1164 B17R1.55 NC(=O)NC(=O)C(NCCO)c1ccccc1 2230a_100016997473_100000010812 [0,2,0,0,0,0|0,0,0]=2 1165 B17R1.55 NC(=O)NC(=O)C(SCC=O)c1ccccc1 62a_100000010812_200015260668 [0,2,0,0,0,0|0,0,1]=3 1166 B17R1.55 NC(=O)NC(=O)C(SCC=O)c1ccccc1 62a_200015260668_100000010812 [0,2,0,0,0,0|0,0,1]=3 1167 B17R1.55 NC(=O)NC(=O)C(SCCF)c1ccccc1 62a_100000010812_100011217306 [0,2,0,0,0,0|0,0,0]=2 1168 B17R1.55 NC(=O)NC(=O)C(SCCF)c1ccccc1 62a_100011217306_100000010812 [0,2,0,0,0,0|0,0,0]=2 1169 B17R1.55 NC(=O)NC(=O)C(SCCO)c1ccccc1 62a_100000010812_100000211926 [0,2,0,0,0,0|0,0,0]=2 1170 B17R1.55 NC(=O)NC(=O)C(SCCO)c1ccccc1 62a_100000211926_100000010812 [0,2,0,0,0,0|0,0,0]=2 1171 B17R1.3071 C#CC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100000211873_100000010812 [0,2,0,0,0,0|0,0,2]=4 1172 B17R1.3071 C=CC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100000185746_100000010812 [0,2,0,0,0,0|0,0,2]=4 1173 B17R1.3071 CCC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100000210414_100000010812 [0,2,0,0,0,0|0,0,0]=2 1174 B17R1.3071 CCC(C)C(C(=O)CC(=O)N)c1ccccc1 1458a_100000211421_100000187820 [0,2,0,0,0,0|1,0,0]=3 1175 B17R1.3071 CCC(C)C(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211421_100020667443 [0,2,0,0,0,0|2,0,0]=4 1176 B17R1.3071 CCN(C)C(C(=O)NC(=O)N)c1ccccc1 2230a_100000225621_100000010812 [0,2,0,0,0,0|0,0,0]=2 1177 B17R1.3071 CCN(C)C(C(=O)NC(=O)N)c1ccccc1 269982a_100000225621_100000010812 [0,2,0,0,0,0|0,0,0]=2 1178 B17R1.3071 COC(=O)C(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000754950 [0,2,0,0,0,0|1,0,1]=4 1179 B17R1.3071 NC(=O)NC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100000010812 [0,2,0,0,0,0|0,0,1]=3 1180 B17R1.19245 COC(=O)CC(=O)C(CCCl)c1ccccc1 1458a_100000211351_200010132975 [0,2,0,0,0,0|2,0,0]=4 1181 B17R1.26401 CC(=O)NC(C(=O)CC(=O)N)c1ccccc1 1458a_100000195599_100000187820 [0,2,0,0,0,0|1,0,1]=4 1182 B17R1.26401 CC(=O)O[C@@H](C(=O)CC(=O)N)c1ccccc1 1458a_100016990227_100000187820 [0,2,0,0,0,0|1,0,1]=4 1183 B17R1.26401 CC(C)NC(C(=O)NC(=O)N)c1ccccc1 2230a_100138425928_100000010812 [0,2,0,0,0,0|0,0,0]=2 1184 B17R1.26401 CC(C)SC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000210206 [0,2,0,0,0,0|0,0,0]=2 1185 B17R1.26401 CC(C)SC(C(=O)NC(=O)N)c1ccccc1 62a_100000210206_100000010812 [0,2,0,0,0,0|0,0,0]=2 1186 B17R1.866 CCC(=O)CC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100000747405 [0,2,0,0,0,0|2,0,0]=4 1187 B17R1.866 CCC(C(=O)CC(=O)NC)c1ccc(cc1)Br 1458a_100011934198_100000183359 [0,2,0,0,0,0|1,0,0]=3 1188 B17R1.866 CCC(C(=O)CC(=O)OC)c1ccc(cc1)Br 1458a_100011934198_100000747449 [0,2,0,0,0,0|2,0,0]=4 1189 B17R1.866 CNC(=O)CC(=O)C(OC)c1ccc(cc1)Cl 1458a_100012350483_100000183359 [0,2,0,0,0,0|2,0,0]=4 1190 B17R1.867 CNC(=O)CC(=O)C(OC)c1cccc(c1)Cl 1458a_100012350482_100000183359 [0,2,0,0,0,0|2,0,0]=4 1191 B17R1.4577 C=COC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000036128 [0,2,0,0,0,0|2,0,0]=4 1192 B17R1.4577 CCC(C(=O)CC(=O)NCO)c1ccccc1 1458a_100000211302_100000185155 [0,2,0,0,0,0|1,0,0]=3 1193 B17R1.4577 CCCC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000747444 [0,2,0,0,0,0|2,0,0]=4 1194 B17R1.4577 CCNC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000183381 [0,2,0,0,0,0|1,0,0]=3 1195 B17R1.4577 CCNC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000183381 [0,2,0,0,0,0|2,0,0]=4 1196 B17R1.4577 CCNC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000183381 [0,2,0,0,0,0|2,0,0]=4 1197 B17R1.4577 CCOC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000188475 [0,2,0,0,0,0|2,0,0]=4 1198 B17R1.4577 CO[C@@H](C(=O)CC(=O)NCO)c1ccccc1 1458a_100000698336_100000185155 [0,2,0,0,0,0|2,0,0]=4 1199 B17R1.4577 O=C(CC(=O)C(CO)c1ccccc1)NCO 1458a_100011218805_100000185155 [0,2,0,0,0,0|2,0,0]=4 1200 B17R1.6319 CCC(=O)C(C)C(=O)C(CC)c1ccccc1 1458a_100000211302_100000742827 [0,2,0,0,0,0|2,0,0]=4 1201 B17R1.6319 CCC(C(=O)C(C)C(=O)NC)c1ccccc1 1458a_100000211302_100000209862 [0,2,0,0,0,0|1,0,0]=3 1202 B17R1.6319 CCC(C(=O)C(C)C(=O)OC)c1ccccc1 1458a_100000211302_100000211248 [0,2,0,0,0,0|2,0,0]=4 1203 B17R1.6319 CCC(C(=O)C(F)C(=O)NC)c1ccccc1 1458a_100000211302_100009813575 [0,2,0,0,0,0|1,0,0]=3 1204 B17R1.6319 CNC(=O)C(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000209862 [0,2,0,0,0,0|2,0,0]=4 1205 B17R1.6319 CNC(=O)C(C)C(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000209862 [0,2,0,0,0,0|2,0,0]=4 1206 B17R1.6319 CNC(=O)C(F)C(=O)C(CO)c1ccccc1 1458a_100011218805_100009813575 [0,2,0,0,0,0|2,0,0]=4 1207 B17R1.6319 CNC(=O)C(F)C(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100009813575 [0,2,0,0,0,0|2,0,0]=4 1208 B17R1.20773 CCC(=O)CC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000747405 [0,2,0,0,0,0|2,0,0]=4 1209 B17R1.20773 CCC(C(=O)CC(=O)NC)c1ccccc1Cl 1458a_100011667493_100000183359 [0,2,0,0,0,0|1,0,0]=3 1210 B17R1.20773 CCC(C(=O)CC(=O)OC)c1ccccc1Cl 1458a_100011667493_100000747449 [0,2,0,0,0,0|2,0,0]=4 1211 B17R1.20773 CNC(=O)CC(=O)C(OC)c1ccccc1C 1458a_100012277922_100000183359 [0,2,0,0,0,0|2,0,0]=4 1212 B17R1.20773 CNC(=O)CC(=O)C(OC)c1ccccc1F 1458a_100012277919_100000183359 [0,2,0,0,0,0|2,0,0]=4 1213 B17R1.21030 CCC(=O)CC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000747405 [0,2,0,0,0,0|2,0,0]=4 1214 B17R1.21030 CCC(O)(C(=O)CC(=O)NC)c1ccccc1 1458a_100011434905_100000183359 [0,2,0,0,0,0|1,0,0]=3 1215 B17R1.21030 CCC(O)(C(=O)CC(=O)OC)c1ccccc1 1458a_100011434905_100000747449 [0,2,0,0,0,0|2,0,0]=4 1216 B17R1.21033 CCC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000747405 [0,2,0,0,0,0|2,0,0]=4 1217 B17R1.21033 CNC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000183359 [0,2,0,0,0,0|1,0,0]=3 1218 B17R1.21033 CNC(=O)CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_100000183359 [0,2,0,0,0,0|2,0,0]=4 1219 B17R1.21033 COC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000747449 [0,2,0,0,0,0|2,0,0]=4 1220 B17R1.183790 CCC(C(=O)NS(=O)(=O)CC)c1ccccc1 2740a_100000171174_100000211302 [0,2,0,0,0,0|2,0,0]=4 1221 B17R1.2597 CCC(C(=O)C(C)C(=O)C)c1ccc(cc1)Br 1458a_100011934198_100000179758 [0,2,0,0,0,0|2,0,0]=4 1222 B17R1.2597 CCC(C(=O)C(C)C(=O)N)c1ccc(cc1)Br 1458a_100011934198_100000702099 [0,2,0,0,0,0|1,0,0]=3 1223 B17R1.2597 CCC(C(=O)C(F)C(=O)N)c1ccc(cc1)Br 1458a_100011934198_100009813875 [0,2,0,0,0,0|1,0,0]=3 1224 B17R1.2597 CCC(C(=O)C(F)C(=O)[O-])c1ccc(cc1)Br 1458a_100011934198_100020610796 [0,2,0,0,0,0|2,0,0]=4 1225 B17R1.2597 COC(C(=O)C(C)C(=O)N)c1ccc(cc1)Cl 1458a_100012350483_100000702099 [0,2,0,0,0,0|2,0,0]=4 1226 B17R1.2597 COC(C(=O)C(F)C(=O)N)c1ccc(cc1)Cl 1458a_100012350483_100009813875 [0,2,0,0,0,0|2,0,0]=4 1227 B17R1.2943 COC(C(=O)C(C)C(=O)N)c1cccc(c1)Cl 1458a_100012350482_100000702099 [0,2,0,0,0,0|2,0,0]=4 1228 B17R1.2943 COC(C(=O)C(F)C(=O)N)c1cccc(c1)Cl 1458a_100012350482_100009813875 [0,2,0,0,0,0|2,0,0]=4 1229 B17R1.3107 CCC(C(=O)N)C(=O)C(CC)c1ccccc1 1458a_100000211302_100000750255 [0,2,0,0,0,0|1,0,0]=3 1230 B17R1.3107 CCC(C(=O)N)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000750255 [0,2,0,0,0,0|2,0,0]=4 1231 B17R1.3107 CCC(C(=O)N)C(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000750255 [0,2,0,0,0,0|2,0,0]=4 1232 B17R1.3110 CCC(C(=O)C(C)C(=O)C)c1ccccc1Cl 1458a_100011667493_100000179758 [0,2,0,0,0,0|2,0,0]=4 1233 B17R1.3110 CCC(C(=O)C(C)C(=O)N)c1ccccc1Cl 1458a_100011667493_100000702099 [0,2,0,0,0,0|1,0,0]=3 1234 B17R1.3110 CCC(C(=O)C(F)C(=O)N)c1ccccc1Cl 1458a_100011667493_100009813875 [0,2,0,0,0,0|1,0,0]=3 1235 B17R1.3110 CCC(C(=O)C(F)C(=O)[O-])c1ccccc1Cl 1458a_100011667493_100020610796 [0,2,0,0,0,0|2,0,0]=4 1236 B17R1.3110 COC(C(=O)C(C)C(=O)N)c1ccccc1C 1458a_100012277922_100000702099 [0,2,0,0,0,0|2,0,0]=4 1237 B17R1.3110 COC(C(=O)C(C)C(=O)N)c1ccccc1F 1458a_100012277919_100000702099 [0,2,0,0,0,0|2,0,0]=4 1238 B17R1.3110 COC(C(=O)C(F)C(=O)N)c1ccccc1C 1458a_100012277922_100009813875 [0,2,0,0,0,0|2,0,0]=4 1239 B17R1.3110 COC(C(=O)C(F)C(=O)N)c1ccccc1F 1458a_100012277919_100009813875 [0,2,0,0,0,0|2,0,0]=4 1240 B17R1.6454 CCC(O)(C(=O)C(C)C(=O)C)c1ccccc1 1458a_100011434905_100000179758 [0,2,0,0,0,0|2,0,0]=4 1241 B17R1.6454 CCC(O)(C(=O)C(C)C(=O)N)c1ccccc1 1458a_100011434905_100000702099 [0,2,0,0,0,0|1,0,0]=3 1242 B17R1.6454 CCC(O)(C(=O)C(F)C(=O)N)c1ccccc1 1458a_100011434905_100009813875 [0,2,0,0,0,0|1,0,0]=3 1243 B17R1.6454 CCC(O)(C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100011434905_100020610796 [0,2,0,0,0,0|2,0,0]=4 1244 B17R1.64476 CC(=O)C(C)C(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000179758 [0,2,0,0,0,0|2,0,0]=4 1245 B17R1.64476 CC(C(=O)N)C(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000702099 [0,2,0,0,0,0|1,0,0]=3 1246 B17R1.64476 CC(C(=O)N)C(=O)C(c1ccccc1)N(C)C 1458a_100000743987_100000702099 [0,2,0,0,0,0|2,0,0]=4 1247 B17R1.64476 CC(C)C(C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000764467_100009813875 [0,2,0,0,0,0|1,0,0]=3 1248 B17R1.64476 CC(C)C(C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100000764467_100020610796 [0,2,0,0,0,0|2,0,0]=4 1249 B17R1.64476 CN(C)C(C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000743987_100009813875 [0,2,0,0,0,0|2,0,0]=4 1250 B17R1.183779 CCC(C(=O)C(F)(F)C(=O)N)c1ccccc1 1458a_100000211302_100009811971 [0,2,0,0,0,0|1,0,0]=3 1251 B17R1.183779 CO[C@@H](C(=O)C(F)(F)C(=O)N)c1ccccc1 1458a_100000698336_100009811971 [0,2,0,0,0,0|2,0,0]=4 1252 B17R1.183779 NC(=O)C(F)(F)C(=O)C(CO)c1ccccc1 1458a_100011218805_100009811971 [0,2,0,0,0,0|2,0,0]=4 1253 B17R1.225 CCC(C(=O)CC(=O)N)c1ccc(cc1)OC 1458a_200000687490_100000187820 [0,2,0,0,0,0|1,0,0]=3 1254 B17R1.225 CCC(C(=O)CC(=O)[O-])c1ccc(cc1)OC 1458a_200000687490_100020667443 [0,2,0,0,0,0|2,0,0]=4 1255 B17R1.2596 CCC(C(=O)CS(=O)(=O)N)c1ccc(cc1)Br 1458a_100011934198_100000741382 [0,2,0,0,0,0|2,0,0]=4 1256 B17R1.2596 CCC(C(=O)NS(=O)(=O)C)c1ccc(cc1)Br 2740a_100000171171_100011934198 [0,2,0,0,0,0|2,0,0]=4 1257 B17R1.3151 CCN(C(=O)CC(=O)N)c1ccc(c(c1)C)Br 22a_100015183089_100134613110 [0,2,0,0,0,0|2,0,0]=4 1258 B17R1.3151 CCN(C(=O)CC(=O)N)c1ccc(c(c1)C)C 22a_106256033975_100134613110 [0,2,0,0,0,0|2,0,0]=4 1259 B17R1.3151 CCN(C(=O)CC(=O)N)c1ccc(c(c1)F)C 22a_100015205639_100134613110 [0,2,0,0,0,0|2,0,0]=4 1260 B17R1.3151 CCN(C(=O)CC(=O)N)c1ccc(c(c1)F)F 22a_100000221022_100134613110 [0,2,0,0,0,0|2,0,0]=4 1261 B17R1.23786 CC(C)C(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100000183262_100000187820 [0,2,0,0,0,0|1,0,0]=3 1262 B17R1.23786 CC(C)C(C(=O)CC(=O)[O-])c1ccc(cc1)Cl 1458a_100000183262_100020667443 [0,2,0,0,0,0|2,0,0]=4 1263 B17R1.23786 CC(C)[C@H](C(=O)CC(=O)N)c1ccc(cc1)F 1458a_100009817477_100000187820 [0,2,0,0,0,0|1,0,0]=3 1264 B17R1.23786 CC(C)[C@H](C(=O)CC(=O)[O-])c1ccc(cc1)F 1458a_100009817477_100020667443 [0,2,0,0,0,0|2,0,0]=4 1265 B17R1.23786 CN(C)C(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100000689845_100000187820 [0,2,0,0,0,0|2,0,0]=4 1266 B17R1.23786 CN(C)C(C(=O)CC(=O)N)c1ccc(cc1)F 1458a_200015183285_100000187820 [0,2,0,0,0,0|2,0,0]=4 1267 B17R1.23786 Cc1ccc(cc1)C(C(=O)CC(=O)N)N(C)C 1458a_200015183742_100000187820 [0,2,0,0,0,0|2,0,0]=4 1268 B17R1.23786 Cc1ccc(cc1)N(C(=O)CC(=O)N)C(C)C 22a_100000748792_100134613110 [0,2,0,0,0,0|2,0,0]=4 1269 B17R1.183141 CCN(C(=O)CC(=O)N)c1ccc(cc1C)F 22a_100000221679_100134613110 [0,2,0,0,0,0|2,0,0]=4 1270 B17R1.2465 CCN(C(=O)CC(=O)N)c1cc(ccc1C)C 22a_100000743043_100134613110 [0,2,0,0,0,0|2,0,0]=4 1271 B17R1.2522 CCN(C(=O)CC(=O)N)c1cc(cc(c1)C)C 22a_100000743038_100134613110 [0,2,0,0,0,0|2,0,0]=4 1272 B17R1.2951 CCN(C(=O)CC(=O)N)c1cccc(c1C)C 22a_100000219776_100134613110 [0,2,0,0,0,0|2,0,0]=4 1273 B17R1.6242 C#Cc1cccc(c1)N(CC)C(=O)CC(=O)N 22a_100000751626_100134613110 [0,2,0,0,0,0|2,0,0]=4 1274 B17R1.6242 CCN(C(=O)CC(=O)N)c1cccc(c1)C#N 22a_100000221300_100134613110 [0,2,0,0,0,0|2,0,0]=4 1275 B17R1.6242 CCN(C(=O)CC(=O)N)c1cccc(c1)OC 22a_100000219733_100134613110 [0,2,0,0,0,0|2,0,0]=4 1276 B17R1.64018 CN(C)C(C(=O)CC(=O)N)c1cccc(c1)F 1458a_200015184705_100000187820 [0,2,0,0,0,0|2,0,0]=4 1277 B17R1.64018 Cc1cccc(c1)C(C(=O)CC(=O)N)N(C)C 1458a_200015183098_100000187820 [0,2,0,0,0,0|2,0,0]=4 1278 B17R1.3125 CCC(C(=O)CS(=O)(=O)N)c1ccccc1Cl 1458a_100011667493_100000741382 [0,2,0,0,0,0|2,0,0]=4 1279 B17R1.3125 CCC(C(=O)NS(=O)(=O)C)c1ccccc1Cl 2740a_100000171171_100011667493 [0,2,0,0,0,0|2,0,0]=4 1280 B17R1.47905 CCC(O)(C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100011434905_100000741382 [0,2,0,0,0,0|2,0,0]=4 1281 B17R1.104638 CC(C)C(C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100000764467_100000741382 [0,2,0,0,0,0|2,0,0]=4 1282 B17R1.104638 CC(C)C(C(=O)NS(=O)(=O)C)c1ccccc1 2740a_100000171171_100000764467 [0,2,0,0,0,0|2,0,0]=4 1283 B17R1.13890 CN(C)C(C(=O)CC(=O)N)c1ccccc1Cl 1458a_100000689846_100000187820 [0,2,0,0,0,0|2,0,0]=4 1284 B17R1.13890 CN(C)C(C(=O)CC(=O)N)c1ccccc1F 1458a_100011344403_100000187820 [0,2,0,0,0,0|2,0,0]=4 1285 B17R1.13890 Cc1ccccc1C(C(=O)CC(=O)N)C(C)C 1458a_200011667393_100000187820 [0,2,0,0,0,0|1,0,0]=3 1286 B17R1.13890 Cc1ccccc1C(C(=O)CC(=O)N)N(C)C 1458a_200015186453_100000187820 [0,2,0,0,0,0|2,0,0]=4 1287 B17R1.13890 Cc1ccccc1C(C(=O)CC(=O)[O-])C(C)C 1458a_200011667393_100020667443 [0,2,0,0,0,0|2,0,0]=4 1288 B17R1.27046 CCN(C(=O)CC(=O)N)c1ccccc1OC 22a_100020603010_100134613110 [0,2,0,0,0,0|2,0,0]=4 1289 B17R1.19385 CCC(CC)(C(=O)CC(=O)N)c1ccccc1 1458a_100000765338_100000187820 [0,2,0,0,0,0|1,0,0]=3 1290 B17R1.19385 CCC(CC)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000765338_100020667443 [0,2,0,0,0,0|2,0,0]=4 1291 B15R2.389 O=c1[nH]nc(c(=O)[nH]1)c2ccccc2 271570a_100011218836_100000181694 [1,0,0,1,0,0|1,0,1]=4 1292 B15R2.133568 NC(=O)CC(=O)C1Cc2c1cccc2 1458a_200000238571_100000187820 [1,0,0,1,0,0|1,0,0]=3 1293 B15R2.133568 O=C([O-])CC(=O)C1Cc2c1cccc2 1458a_200000238571_100020667443 [1,0,0,1,0,0|2,0,0]=4 1294 B15R2.6 CC(=O)NCC1CCc2c1cccc2 11a_100020632452_100015343762 [1,0,0,1,0,0|1,0,1]=4 1295 B15R2.6 CC(=O)NCC1CCc2c1cccc2 1626a_100020632452_100015343762 [1,0,0,1,0,0|1,0,1]=4 1296 B15R2.6 CC(=O)NCC1CCc2c1cccc2 240690a_100020632452_100015343762 [1,0,0,1,0,0|1,0,1]=4 1297 B15R2.6 CC(=O)NCC1CCc2c1cccc2 527a_100020632452_100103153847 [1,0,0,1,0,0|1,0,1]=4 1298 B15R2.6 NC(=O)CNC1CCc2c1cccc2 2230a_100000711301_200000721974 [1,0,0,1,0,0|2,0,0]=4 1299 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000747473 [1,0,0,1,0,0|2,0,0]=4 1300 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000187820 [1,0,0,1,0,0|2,0,0]=4 1301 B15R2.6 NC(=O)COC1CCc2c1cccc2 34a_100000212247_100000187820 [1,0,0,1,0,0|2,0,0]=4 1302 B15R2.6 NC(=O)COC1CCc2c1cccc2 7a_100000212247_100000187820 [1,0,0,1,0,0|2,0,0]=4 1303 B15R2.6 NC(=O)CSC1CCc2c1cccc2 62a_100000747473_200000721974 [1,0,0,1,0,0|2,0,0]=4 1304 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 11a_100000747531_100015343762 [1,0,0,1,0,0|1,0,1]=4 1305 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 1626a_100000747531_100015343762 [1,0,0,1,0,0|1,0,1]=4 1306 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 240690a_100000747531_100015343762 [1,0,0,1,0,0|1,0,1]=4 1307 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 527a_100000747531_100103153847 [1,0,0,1,0,0|1,0,1]=4 1308 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 11a_100000242008_100015343762 [1,0,0,1,0,0|1,0,1]=4 1309 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 1626a_100000242008_100015343762 [1,0,0,1,0,0|1,0,1]=4 1310 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 240690a_100000242008_100015343762 [1,0,0,1,0,0|1,0,1]=4 1311 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 527a_100000242008_100103153847 [1,0,0,1,0,0|1,0,1]=4 1312 B15R2.7691 NC(=O)CNC1(CC1)c2ccccc2 2230a_100000749958_100000747473 [1,0,0,1,0,0|2,0,0]=4 1313 B15R2.73 C=CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210623 [1,0,0,1,0,0|2,0,0]=4 1314 B15R2.73 CCNC(=O)C1CCc2c1cccc2 11a_100015525214_100000750891 [1,0,0,1,0,0|1,0,1]=4 1315 B15R2.73 CCNC(=O)C1CCc2c1cccc2 240690a_100015525214_100000750891 [1,0,0,1,0,0|1,0,1]=4 1316 B15R2.73 CCNC(=O)C1CCc2c1cccc2 527a_100015525214_100000750891 [1,0,0,1,0,0|1,0,1]=4 1317 B15R2.73 CNNC(=O)C1CCc2c1cccc2 22a_100016993582_100000750891 [1,0,0,1,0,0|2,0,0]=4 1318 B15R2.1363 C=CCC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000210623 [1,0,0,1,0,0|2,0,0]=4 1319 B15R2.1363 CCNC(=O)C1(CC1)c2ccccc2 11a_100015525214_100000211650 [1,0,0,1,0,0|1,0,1]=4 1320 B15R2.1363 CCNC(=O)C1(CC1)c2ccccc2 240690a_100015525214_100000211650 [1,0,0,1,0,0|1,0,1]=4 1321 B15R2.1363 CCNC(=O)C1(CC1)c2ccccc2 527a_100015525214_100000211650 [1,0,0,1,0,0|1,0,1]=4 1322 B15R2.1363 CNNC(=O)C1(CC1)c2ccccc2 22a_100016993582_100000211650 [1,0,0,1,0,0|2,0,0]=4 1323 B15R2.1255 CC(=O)C(=O)N1CCc2c1cccc2 1458a_200011297316_200000210301 [0,0,0,1,1,0|2,0,0]=4 1324 B15R2.1255 [13CH3]C(=O)C(=O)N1CCc2c1cccc2 1458a_200011297316_200025704644 [0,0,0,1,1,0|2,0,0]=4 1325 B15R2.6990 NC(=O)CC(=O)C1(CC1)c2cccs2 1458a_100011689596_100000187820 [0,0,0,1,1,0|2,0,0]=4 1326 B17R2.39 NC(=O)CC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000187820 [0,0,0,1,0,1|1,0,0]=3 1327 B17R2.39 NC(=O)CC(=O)CN1CCc2c1cccc2 1458a_100000742689_100000187820 [0,0,0,1,0,1|2,0,0]=4 1328 B17R2.39 NC(=O)CC(=O)NC1COc2c1cccc2 240690a_100000747519_100134613110 [0,0,0,1,0,1|2,0,0]=4 1329 B17R2.39 NC(=O)CC(=O)NC1COc2c1cccc2 527a_100000747519_100134613110 [0,0,0,1,0,1|2,0,0]=4 1330 B17R2.39 NC(=O)CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100134613110 [0,0,0,1,0,1|1,0,0]=3 1331 B17R2.39 NC(=O)CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100134613110 [0,0,0,1,0,1|1,0,0]=3 1332 B17R2.39 O=C([O-])CC(=O)CC1CCc2c1cccc2 1458a_100000756587_100020667443 [0,0,0,1,0,1|2,0,0]=4 1333 B17R2.6039 CCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2 2230a_100000210013_100000754189 [0,0,0,1,0,1|2,0,0]=4 1334 B17R2.6039 CCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2 269982a_100000210013_100000754189 [0,0,0,1,0,1|2,0,0]=4 1335 B17R2.18966 NC(=O)CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100134613110 [0,0,0,1,0,1|1,0,0]=3 1336 B17R2.18966 NC(=O)CC(=O)N1CCC1c2ccccc2 527a_100000739605_100134613110 [0,0,0,1,0,1|1,0,0]=3 1337 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100134613110 [0,0,0,1,0,1|1,0,0]=3 1338 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2ccccc2 527a_100000749958_100134613110 [0,0,0,1,0,1|1,0,0]=3 1339 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2ccccn2 240690a_100000727909_100134613110 [0,0,0,1,0,1|2,0,0]=4 1340 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2ccccn2 527a_100000727909_100134613110 [0,0,0,1,0,1|2,0,0]=4 1341 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2cccnc2 240690a_100020592340_100134613110 [0,0,0,1,0,1|2,0,0]=4 1342 B17R2.45103 NC(=O)CC(=O)NC1(CC1)c2cccnc2 527a_100020592340_100134613110 [0,0,0,1,0,1|2,0,0]=4 1343 B17R2.17866 CCc1c([nH]c(=O)[nH]c1=O)c2ccccc2 271570a_100011218836_100000080397 [0,0,0,1,0,1|0,0,1]=3 1344 B17R2.17866 CCc1c([nH]c(=O)[nH]c1=O)c2ccccn2 271570a_100011264011_100000080397 [0,0,0,1,0,1|1,0,1]=4 1345 B17R2.17866 CCc1c([nH]c(=O)[nH]c1=O)c2cccnc2 271570a_100000757648_100000080397 [0,0,0,1,0,1|1,0,1]=4 1346 B17R2.17866 CCc1c([nH]c(=O)[nH]c1=O)c2ccncc2 271570a_100000752145_100000080397 [0,0,0,1,0,1|1,0,1]=4 1347 B17R2.18967 NC(=O)CC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000187820 [0,0,0,1,0,1|1,0,0]=3 1348 B17R2.18967 NC(=O)CC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000187820 [0,0,0,1,0,1|1,0,0]=3 1349 B17R2.18967 NC(=O)CC(=O)C1COc2ccccc2C1 1458a_100000203760_100000187820 [0,0,0,1,0,1|2,0,0]=4 1350 B17R2.18967 NC(=O)CC(=O)C1COc2ccccc2O1 1458a_100000182656_100000187820 [0,0,0,1,0,1|2,0,0]=4 1351 B17R2.18967 NC(=O)CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000187820 [0,0,0,1,0,1|2,0,0]=4 1352 B17R2.18967 NC(=O)CC(=O)N1CCc2ccccc2C1 240690a_100000188457_100134613110 [0,0,0,1,0,1|2,0,0]=4 1353 B17R2.18967 NC(=O)CC(=O)N1CCc2ccccc2C1 527a_100000188457_100134613110 [0,0,0,1,0,1|2,0,0]=4 1354 B17R2.18967 O=C([O-])CC(=O)C1CCc2ccccc2C1 1458a_100011217706_100020667443 [0,0,0,1,0,1|2,0,0]=4 1355 B17R2.18967 O=C([O-])CC(=O)C1CCc2ccccc2O1 1458a_100000065239_100020667443 [0,0,0,1,0,1|2,0,0]=4 1356 B17R2.877 C=C(C)CNC(=O)C1CCc2c1cccc2 11a_100000765925_100000750891 [0,0,0,1,0,1|2,0,0]=4 1357 B17R2.877 C=C(C)CNC(=O)C1CCc2c1cccc2 1626a_100000765925_100000750891 [0,0,0,1,0,1|2,0,0]=4 1358 B17R2.877 C=C(C)CNC(=O)C1CCc2c1cccc2 240690a_100000765925_100000750891 [0,0,0,1,0,1|2,0,0]=4 1359 B17R2.877 C=C(C)CNC(=O)C1CCc2c1cccc2 527a_100000765925_100000750891 [0,0,0,1,0,1|2,0,0]=4 1360 B17R2.877 CC(=O)NNC(=O)C1CCc2c1cccc2 22a_100000189765_100000750891 [0,0,0,1,0,1|1,0,0]=3 1361 B17R2.877 NC(=O)CNC(=O)C1=CCc2c1cccc2 11a_100000711301_100000037392 [0,0,0,1,0,1|0,0,2]=4 1362 B17R2.877 NC(=O)CNC(=O)C1=CCc2c1cccc2 240690a_100000711301_100000037392 [0,0,0,1,0,1|0,0,2]=4 1363 B17R2.877 NC(=O)CNC(=O)C1C=Cc2c1cccc2 240690a_100000711301_200009832160 [0,0,0,1,0,1|0,0,2]=4 1364 B17R2.877 NC(=O)CNC(=O)C1C=Cc2c1cccc2 527a_100000711301_200009832160 [0,0,0,1,0,1|0,0,2]=4 1365 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 11a_100000711301_100000750891 [0,0,0,1,0,1|0,0,0]=2 1366 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 240690a_100000711301_100000750891 [0,0,0,1,0,1|0,0,0]=2 1367 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 527a_100000711301_100000750891 [0,0,0,1,0,1|0,0,0]=2 1368 B17R2.3198 CC(=O)N1CCN(C(=O)C1)c2ccccc2 11a_100000707252_100015343762 [0,0,0,1,0,1|2,0,0]=4 1369 B17R2.3198 CC(=O)N1CCN(C(=O)C1)c2ccccc2 1626a_100000707252_100015343762 [0,0,0,1,0,1|2,0,0]=4 1370 B17R2.3198 CC(=O)N1CCN(C(=O)C1)c2ccccc2 240690a_100000707252_100015343762 [0,0,0,1,0,1|2,0,0]=4 1371 B17R2.3198 CC(=O)N1CCN(C(=O)C1)c2ccccc2 527a_100000707252_100103153847 [0,0,0,1,0,1|2,0,0]=4 1372 B17R2.3547 NC(=O)CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_100000747473 [0,0,0,1,0,1|1,0,1]=4 1373 B17R2.3547 NC(=O)CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_100000187820 [0,0,0,1,0,1|1,0,1]=4 1374 B17R2.7861 CCN(C(=O)[C@@H]1CC(=O)N1)c2ccccc2 22a_100000210013_100016090685 [0,0,0,1,0,1|2,0,0]=4 1375 B17R2.10114 C=C(C)CNC(=O)C1(CC1)c2ccccc2 11a_100000765925_100000211650 [0,0,0,1,0,1|2,0,0]=4 1376 B17R2.10114 C=C(C)CNC(=O)C1(CC1)c2ccccc2 1626a_100000765925_100000211650 [0,0,0,1,0,1|2,0,0]=4 1377 B17R2.10114 C=C(C)CNC(=O)C1(CC1)c2ccccc2 240690a_100000765925_100000211650 [0,0,0,1,0,1|2,0,0]=4 1378 B17R2.10114 C=C(C)CNC(=O)C1(CC1)c2ccccc2 527a_100000765925_100000211650 [0,0,0,1,0,1|2,0,0]=4 1379 B17R2.10114 CC(=O)NNC(=O)C1(CC1)c2ccccc2 22a_100000189765_100000211650 [0,0,0,1,0,1|1,0,0]=3 1380 B17R2.10114 CC(=O)NNC(=O)C1(CC1)c2ccccn2 22a_100000189765_106256046498 [0,0,0,1,0,1|2,0,0]=4 1381 B17R2.10114 CC(=O)NNC(=O)C1(CC1)c2cccnc2 22a_100000189765_100000717079 [0,0,0,1,0,1|2,0,0]=4 1382 B17R2.10114 CC(=O)NNC(=O)C1(CC1)c2ccncc2 22a_100000189765_100137314589 [0,0,0,1,0,1|2,0,0]=4 1383 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 11a_100000711301_100000211650 [0,0,0,1,0,1|0,0,0]=2 1384 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 240690a_100000711301_100000211650 [0,0,0,1,0,1|0,0,0]=2 1385 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 527a_100000711301_100000211650 [0,0,0,1,0,1|0,0,0]=2 1386 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccn2 11a_100000711301_106256046498 [0,0,0,1,0,1|1,0,0]=3 1387 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccn2 240690a_100000711301_106256046498 [0,0,0,1,0,1|1,0,0]=3 1388 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccn2 527a_100000711301_106256046498 [0,0,0,1,0,1|1,0,0]=3 1389 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2cccnc2 11a_100000711301_100000717079 [0,0,0,1,0,1|1,0,0]=3 1390 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2cccnc2 240690a_100000711301_100000717079 [0,0,0,1,0,1|1,0,0]=3 1391 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2cccnc2 527a_100000711301_100000717079 [0,0,0,1,0,1|1,0,0]=3 1392 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccncc2 11a_100000711301_100137314589 [0,0,0,1,0,1|1,0,0]=3 1393 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccncc2 240690a_100000711301_100137314589 [0,0,0,1,0,1|1,0,0]=3 1394 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccncc2 527a_100000711301_100137314589 [0,0,0,1,0,1|1,0,0]=3 1395 B17R2.20443 CC(=O)NC1CCN(C1=O)c2ccccc2 11a_200000754093_100015343762 [0,0,0,1,0,1|2,0,0]=4 1396 B17R2.20443 CC(=O)NC1CCN(C1=O)c2ccccc2 1626a_200000754093_100015343762 [0,0,0,1,0,1|2,0,0]=4 1397 B17R2.20443 CC(=O)NC1CCN(C1=O)c2ccccc2 240690a_200000754093_100015343762 [0,0,0,1,0,1|2,0,0]=4 1398 B17R2.20443 CC(=O)NC1CCN(C1=O)c2ccccc2 527a_200000754093_100103153847 [0,0,0,1,0,1|2,0,0]=4 1399 B17R2.139510 CCN1C(=O)C(c2c1cccc2)NC(=O)C 11a_100015184364_100015343762 [0,0,0,1,0,1|2,0,0]=4 1400 B17R2.139510 CCN1C(=O)C(c2c1cccc2)NC(=O)C 1626a_100015184364_100015343762 [0,0,0,1,0,1|2,0,0]=4 1401 B17R2.139510 CCN1C(=O)C(c2c1cccc2)NC(=O)C 240690a_100015184364_100015343762 [0,0,0,1,0,1|2,0,0]=4 1402 B17R2.78535 NC(=O)CC(=O)C1CC(=O)c2c1cccc2 1458a_100134613110_100010208147 [0,1,0,1,0,0|1,0,1]=4 1403 B17R2.147154 NC(=O)CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_100000187820 [0,1,0,1,0,0|1,0,0]=3 1404 B17R2.147154 O=C([O-])CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_100020667443 [0,1,0,1,0,0|2,0,0]=4 1405 B17R2.712041 NC(=O)CC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000187820 [0,1,0,1,0,0|1,0,0]=3 1406 B17R2.712041 NC(=O)CC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000187820 [0,1,0,1,0,0|1,0,0]=3 1407 B17R2.712041 O=C([O-])CC(=O)C1CCCc2c1cccc2 1458a_100011198263_100020667443 [0,1,0,1,0,0|2,0,0]=4 1408 B17R2.712041 O=C([O-])CC(=O)C1OCCc2c1cccc2 1458a_100000026751_100020667443 [0,1,0,1,0,0|2,0,0]=4 1409 B17R2.693 CCC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000747405 [0,1,0,1,0,0|2,0,0]=4 1410 B17R2.693 CNC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000183359 [0,1,0,1,0,0|1,0,0]=3 1411 B17R2.693 COC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000747449 [0,1,0,1,0,0|2,0,0]=4 1412 B17R2.2450 CNC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 2708a_100009885948_106832991635 [0,1,0,1,0,0|1,0,1]=4 1413 B17R2.2450 CNC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 2708a_100102657272_100009885948 [0,1,0,1,0,0|1,0,1]=4 1414 B17R2.2450 CNC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 273464a_100009885948_100102657272 [0,1,0,1,0,0|1,0,1]=4 1415 B17R2.2450 CNC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 273464a_100102657272_100009885948 [0,1,0,1,0,0|1,0,1]=4 1416 B17R2.2450 CNC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 512a_106832991638_100009885948 [0,1,0,1,0,0|1,0,1]=4 1417 B17R2.6135 CCC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000747405 [0,1,0,1,0,0|2,0,0]=4 1418 B17R2.6135 CNC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000183359 [0,1,0,1,0,0|1,0,0]=3 1419 B17R2.6135 CNC(=O)CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_100000183359 [0,1,0,1,0,0|2,0,0]=4 1420 B17R2.6135 CNC(=O)CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_100000183359 [0,1,0,1,0,0|2,0,0]=4 1421 B17R2.6135 COC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000747449 [0,1,0,1,0,0|2,0,0]=4 1422 B17R2.7860 CCC(C(=O)C1CCC1=O)c2ccccc2 1458a_100000211302_100009892977 [0,1,0,1,0,0|2,0,0]=4 1423 B17R2.58067 CNC(=O)C1CCN(C1=O)c2ccccc2 11a_106832991635_100011210742 [0,1,0,1,0,0|2,0,0]=4 1424 B17R2.58067 CNC(=O)C1CCN(C1=O)c2ccccc2 1626a_100102657272_100011210742 [0,1,0,1,0,0|2,0,0]=4 1425 B17R2.58067 CNC(=O)C1CCN(C1=O)c2ccccc2 240690a_100102657272_100011210742 [0,1,0,1,0,0|2,0,0]=4 1426 B17R2.58067 CNC(=O)C1CCN(C1=O)c2ccccc2 527a_100102657272_100011210742 [0,1,0,1,0,0|2,0,0]=4 1427 B17R2.20021 CC(=O)C(C)C(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000179758 [0,1,0,1,0,0|2,0,0]=4 1428 B17R2.20021 CC(C(=O)N)C(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000702099 [0,1,0,1,0,0|1,0,0]=3 1429 B17R2.20021 CC(C(=O)N)C(=O)C1(CC1)c2ccccn2 1458a_106256046498_100000702099 [0,1,0,1,0,0|2,0,0]=4 1430 B17R2.20021 CC(C(=O)N)C(=O)C1(CC1)c2cccnc2 1458a_100000717079_100000702099 [0,1,0,1,0,0|2,0,0]=4 1431 B17R2.20021 NC(=O)C(F)C(=O)C1(CC1)c2ccccc2 1458a_100000211650_100009813875 [0,1,0,1,0,0|1,0,0]=3 1432 B17R2.20021 NC(=O)C(F)C(=O)C1(CC1)c2ccccn2 1458a_106256046498_100009813875 [0,1,0,1,0,0|2,0,0]=4 1433 B17R2.20021 NC(=O)C(F)C(=O)C1(CC1)c2cccnc2 1458a_100000717079_100009813875 [0,1,0,1,0,0|2,0,0]=4 1434 B17R2.20021 O=C([O-])C(F)C(=O)C1(CC1)c2ccccc2 1458a_100000211650_100020610796 [0,1,0,1,0,0|2,0,0]=4 1435 B17R2.45515 CC(=O)C(C)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000179758 [0,1,0,1,0,0|2,0,0]=4 1436 B17R2.45515 CC(C(=O)N)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000702099 [0,1,0,1,0,0|1,0,0]=3 1437 B17R2.45515 NC(=O)C(F)C(=O)C1CCc2c1cccc2 1458a_100000750891_100009813875 [0,1,0,1,0,0|1,0,0]=3 1438 B17R2.45515 O=C([O-])C(F)C(=O)C1CCc2c1cccc2 1458a_100000750891_100020610796 [0,1,0,1,0,0|2,0,0]=4 1439 B17R2.3449 Cc1ccc2c(c1)CCC2C(=O)CC(=O)N 1458a_100000103084_100000187820 [0,1,0,1,0,0|1,0,0]=3 1440 B17R2.3449 Cc1ccc2c(c1)CCC2C(=O)CC(=O)[O-] 1458a_100000103084_100020667443 [0,1,0,1,0,0|2,0,0]=4 1441 B17R2.56413 Cc1ccc(cc1)C2(CC2)C(=O)CC(=O)N 1458a_100011271466_100000187820 [0,1,0,1,0,0|1,0,0]=3 1442 B17R2.56413 Cc1ccc(cc1)C2(CC2)C(=O)CC(=O)[O-] 1458a_100011271466_100020667443 [0,1,0,1,0,0|2,0,0]=4 1443 B17R2.56413 NC(=O)CC(=O)C1(CC1)c2ccc(cc2)Br 1458a_100000735772_100000187820 [0,1,0,1,0,0|1,0,0]=3 1444 B17R2.56413 NC(=O)CC(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_100000187820 [0,1,0,1,0,0|1,0,0]=3 1445 B17R2.56413 NC(=O)CC(=O)C1(CC1)c2ccc(cc2)F 1458a_100000246798_100000187820 [0,1,0,1,0,0|1,0,0]=3 1446 B17R2.56413 NC(=O)CC(=O)C1(CC1)c2ccc(cn2)F 1458a_200012278126_100000187820 [0,1,0,1,0,0|2,0,0]=4 1447 B17R2.56413 NC(=O)CC(=O)C1(CC1)c2ccc(nc2)Cl 1458a_100000695678_100000187820 [0,1,0,1,0,0|2,0,0]=4 1448 B17R2.56413 O=C([O-])CC(=O)C1(CC1)c2ccc(cc2)Br 1458a_100000735772_100020667443 [0,1,0,1,0,0|2,0,0]=4 1449 B17R2.56413 O=C([O-])CC(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_100020667443 [0,1,0,1,0,0|2,0,0]=4 1450 B17R2.56413 O=C([O-])CC(=O)C1(CC1)c2ccc(cc2)F 1458a_100000246798_100020667443 [0,1,0,1,0,0|2,0,0]=4 1451 B17R2.25460 NC(=O)CC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000187820 [0,1,0,1,0,0|1,0,0]=3 1452 B17R2.25460 NC(=O)CC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000187820 [0,1,0,1,0,0|1,0,0]=3 1453 B17R2.25460 O=C([O-])CC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100020667443 [0,1,0,1,0,0|2,0,0]=4 1454 B17R2.25460 O=C([O-])CC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100020667443 [0,1,0,1,0,0|2,0,0]=4 1455 B17R2.273157 Cc1cccc(c1)C2(CC2)C(=O)CC(=O)N 1458a_100000744405_100000187820 [0,1,0,1,0,0|1,0,0]=3 1456 B17R2.273157 Cc1cccc(c1)C2(CC2)C(=O)CC(=O)[O-] 1458a_100000744405_100020667443 [0,1,0,1,0,0|2,0,0]=4 1457 B17R2.273157 NC(=O)CC(=O)C1(CC1)c2cccc(c2)Br 1458a_100000736677_100000187820 [0,1,0,1,0,0|1,0,0]=3 1458 B17R2.273157 NC(=O)CC(=O)C1(CC1)c2cccc(c2)Cl 1458a_100000736705_100000187820 [0,1,0,1,0,0|1,0,0]=3 1459 B17R2.273157 NC(=O)CC(=O)C1(CC1)c2cccc(c2)F 1458a_100000756344_100000187820 [0,1,0,1,0,0|1,0,0]=3 1460 B17R2.273157 O=C([O-])CC(=O)C1(CC1)c2cccc(c2)Br 1458a_100000736677_100020667443 [0,1,0,1,0,0|2,0,0]=4 1461 B17R2.273157 O=C([O-])CC(=O)C1(CC1)c2cccc(c2)Cl 1458a_100000736705_100020667443 [0,1,0,1,0,0|2,0,0]=4 1462 B17R2.273157 O=C([O-])CC(=O)C1(CC1)c2cccc(c2)F 1458a_100000756344_100020667443 [0,1,0,1,0,0|2,0,0]=4 1463 B17R2.5715 CS(=O)(=O)NC(=O)C1CCc2c1cccc2 2740a_100000171171_100000750891 [0,1,0,1,0,0|2,0,0]=4 1464 B17R2.5715 NS(=O)(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000741382 [0,1,0,1,0,0|2,0,0]=4 1465 B17R2.45613 CS(=O)(=O)NC(=O)C1(CC1)c2ccccc2 2740a_100000171171_100000211650 [0,1,0,1,0,0|2,0,0]=4 1466 B17R2.45613 NS(=O)(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000741382 [0,1,0,1,0,0|2,0,0]=4 1467 B17R2.20582 NC(=O)CC(=O)C1(CC1)c2ccccc2Br 1458a_100000707476_100000187820 [0,1,0,1,0,0|1,0,0]=3 1468 B17R2.20582 NC(=O)CC(=O)C1(CC1)c2ccccc2Cl 1458a_100011549969_100000187820 [0,1,0,1,0,0|1,0,0]=3 1469 B17R2.20582 NC(=O)CC(=O)C1(CC1)c2ccccc2F 1458a_100000757711_100000187820 [0,1,0,1,0,0|1,0,0]=3 1470 B17R2.20582 O=C([O-])CC(=O)C1(CC1)c2ccccc2Br 1458a_100000707476_100020667443 [0,1,0,1,0,0|2,0,0]=4 1471 B17R2.20582 O=C([O-])CC(=O)C1(CC1)c2ccccc2Cl 1458a_100011549969_100020667443 [0,1,0,1,0,0|2,0,0]=4 1472 B17R2.20582 O=C([O-])CC(=O)C1(CC1)c2ccccc2F 1458a_100000757711_100020667443 [0,1,0,1,0,0|2,0,0]=4 1473 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [1,0,0,0,1,0|2,0,0]=4 1474 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [1,0,0,0,1,0|2,0,0]=4 1475 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [1,0,0,0,1,0|1,0,0]=3 1476 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [1,0,0,0,1,0|2,0,0]=4 1477 B13R1.340 CC(C(=O)CC(=O)N)n1cccc1 1458a_100000243804_100000187820 [1,0,0,0,1,0|2,0,0]=4 1478 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [1,0,0,0,1,0|2,0,0]=4 1479 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [1,0,0,0,1,0|2,0,0]=4 1480 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [1,0,0,0,1,0|1,0,0]=3 1481 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [1,0,0,0,1,0|1,0,0]=3 1482 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [1,0,0,0,1,0|1,0,0]=3 1483 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [1,0,0,0,1,0|1,0,0]=3 1484 B13R1.713 CCC(NC(=O)C)c1ccccn1 11a_100015186561_100015343762 [1,0,0,0,1,0|2,0,0]=4 1485 B13R1.713 CCC(NC(=O)C)c1ccccn1 1626a_100015186561_100015343762 [1,0,0,0,1,0|2,0,0]=4 1486 B13R1.713 CCC(NC(=O)C)c1ccccn1 240690a_100015186561_100015343762 [1,0,0,0,1,0|2,0,0]=4 1487 B13R1.713 CCC(NC(=O)C)c1ccccn1 527a_100015186561_100103153847 [1,0,0,0,1,0|2,0,0]=4 1488 B13R1.713 CCC(NC(=O)C)c1cccnc1 11a_100000246009_100015343762 [1,0,0,0,1,0|2,0,0]=4 1489 B13R1.713 CCC(NC(=O)C)c1cccnc1 1626a_100000246009_100015343762 [1,0,0,0,1,0|2,0,0]=4 1490 B13R1.713 CCC(NC(=O)C)c1cccnc1 240690a_100000246009_100015343762 [1,0,0,0,1,0|2,0,0]=4 1491 B13R1.713 CCC(NC(=O)C)c1cccnc1 527a_100000246009_100103153847 [1,0,0,0,1,0|2,0,0]=4 1492 B13R1.713 CCC(NC(=O)C)c1ccncc1 11a_100000246010_100015343762 [1,0,0,0,1,0|2,0,0]=4 1493 B13R1.713 CCC(NC(=O)C)c1ccncc1 1626a_100000246010_100015343762 [1,0,0,0,1,0|2,0,0]=4 1494 B13R1.713 CCC(NC(=O)C)c1ccncc1 240690a_100000246010_100015343762 [1,0,0,0,1,0|2,0,0]=4 1495 B13R1.713 CCC(NC(=O)C)c1ccncc1 527a_100000246010_100103153847 [1,0,0,0,1,0|2,0,0]=4 1496 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [1,0,0,0,1,0|1,0,1]=4 1497 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [1,0,0,0,1,0|1,0,1]=4 1498 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [1,0,0,0,1,0|1,0,1]=4 1499 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [1,0,0,0,1,0|1,0,1]=4 1500 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [1,0,0,0,1,0|1,0,1]=4 1501 B15R1.496 C/C(=C\c1ccccc1)/C(=O)CC(=O)N 1458a_100016990649_100000187820 [1,0,0,0,0,1|1,0,1]=4 1502 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100000754839_100000187820 [1,0,0,0,0,1|1,0,0]=3 1503 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100134613110_200011218536 [1,0,0,0,0,1|1,0,0]=3 1504 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000754839_100020667443 [1,0,0,0,0,1|2,0,0]=4 1505 B15R1.496 CC(Cc1ccccn1)C(=O)CC(=O)N 1458a_100012000792_100000187820 [1,0,0,0,0,1|2,0,0]=4 1506 B15R1.496 CC(Oc1ccccc1)C(=O)CC(=O)N 1458a_100000188414_100000187820 [1,0,0,0,0,1|1,0,0]=3 1507 B15R1.496 CC(Oc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000188414_100020667443 [1,0,0,0,0,1|2,0,0]=4 1508 B15R1.496 CC(Oc1ccccc1)C(=O)NC(=O)N 7a_100000210340_100000183865 [1,0,0,0,0,1|0,0,0]=2 1509 B15R1.496 CC(Oc1cccnc1)C(=O)NC(=O)N 7a_100000210849_100000183865 [1,0,0,0,0,1|1,0,0]=3 1510 B15R1.496 CC(Oc1cncnc1)C(=O)NC(=O)N 7a_100000754086_100000183865 [1,0,0,0,0,1|2,0,0]=4 1511 B15R1.496 CC(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000199063_100000187820 [1,0,0,0,0,1|1,0,0]=3 1512 B15R1.496 CC(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000199063_100020667443 [1,0,0,0,0,1|2,0,0]=4 1513 B15R1.496 CC(Sc1ccccc1)C(=O)NC(=O)N 62a_100000183865_100000041952 [1,0,0,0,0,1|0,0,0]=2 1514 B15R1.496 CC(Sc1ccccc1)C(=O)NC(=O)N 62a_100000719477_100000183865 [1,0,0,0,0,1|0,0,0]=2 1515 B15R1.496 CC(Sc1ccccn1)C(=O)CC(=O)N 1458a_100000156770_100000187820 [1,0,0,0,0,1|2,0,0]=4 1516 B15R1.496 CC(Sc1ccccn1)C(=O)NC(=O)N 62a_100000183865_100011216584 [1,0,0,0,0,1|1,0,0]=3 1517 B15R1.496 CC(Sc1ccccn1)C(=O)NC(=O)N 62a_100011216584_100000183865 [1,0,0,0,0,1|1,0,0]=3 1518 B15R1.496 CC(Sc1cccnc1)C(=O)NC(=O)N 62a_100000183865_100000210063 [1,0,0,0,0,1|1,0,0]=3 1519 B15R1.496 CC(Sc1cccnc1)C(=O)NC(=O)N 62a_100000210063_100000183865 [1,0,0,0,0,1|1,0,0]=3 1520 B15R1.496 CC(Sc1cccnn1)C(=O)NC(=O)N 62a_100000183865_100016991348 [1,0,0,0,0,1|2,0,0]=4 1521 B15R1.496 CC(Sc1cccnn1)C(=O)NC(=O)N 62a_100016991348_100000183865 [1,0,0,0,0,1|2,0,0]=4 1522 B15R1.496 CC(Sc1ccncc1)C(=O)NC(=O)N 62a_100000183865_100000728582 [1,0,0,0,0,1|1,0,0]=3 1523 B15R1.496 CC(Sc1ccncc1)C(=O)NC(=O)N 62a_100000728582_100000183865 [1,0,0,0,0,1|1,0,0]=3 1524 B15R1.496 CC(Sc1ccncn1)C(=O)NC(=O)N 62a_100000183865_100000703185 [1,0,0,0,0,1|2,0,0]=4 1525 B15R1.496 CC(Sc1ccncn1)C(=O)NC(=O)N 62a_100000703185_100000183865 [1,0,0,0,0,1|2,0,0]=4 1526 B15R1.496 CC(Sc1ccnnc1)C(=O)NC(=O)N 62a_100000183865_100000732662 [1,0,0,0,0,1|2,0,0]=4 1527 B15R1.496 CC(Sc1ccnnc1)C(=O)NC(=O)N 62a_100000732662_100000183865 [1,0,0,0,0,1|2,0,0]=4 1528 B15R1.496 CC(Sc1cnccn1)C(=O)NC(=O)N 62a_100000183865_100000211759 [1,0,0,0,0,1|2,0,0]=4 1529 B15R1.496 CC(Sc1cnccn1)C(=O)NC(=O)N 62a_100000211759_100000183865 [1,0,0,0,0,1|2,0,0]=4 1530 B15R1.496 CC(Sc1cncnc1)C(=O)NC(=O)N 62a_100000183865_100011206942 [1,0,0,0,0,1|2,0,0]=4 1531 B15R1.496 CC(Sc1cncnc1)C(=O)NC(=O)N 62a_100011206942_100000183865 [1,0,0,0,0,1|2,0,0]=4 1532 B15R1.496 CC(Sc1ncccn1)C(=O)NC(=O)N 62a_100000183865_100000211032 [1,0,0,0,0,1|2,0,0]=4 1533 B15R1.496 CC(Sc1ncccn1)C(=O)NC(=O)N 62a_100000211032_100000183865 [1,0,0,0,0,1|2,0,0]=4 1534 B15R1.496 CN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000186898_100134613110 [1,0,0,0,0,1|2,0,0]=4 1535 B15R1.496 CN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000186898_100134613110 [1,0,0,0,0,1|2,0,0]=4 1536 B15R1.496 NC(=O)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000187820 [1,0,0,0,0,1|2,0,0]=4 1537 B15R1.1076 CC(=CC(=O)CC(=O)N)c1ccccc1 1458a_100000743005_100000187820 [1,0,0,0,0,1|1,0,1]=4 1538 B15R1.1076 CC(=O)CC(=O)NC(C)c1ccccc1 1458a_100000070787_200000243715 [1,0,0,0,0,1|2,0,0]=4 1539 B15R1.1076 CC(=O)CC(=O)N[C@@H](C)c1ccccc1 1458a_100000070787_100011939912 [1,0,0,0,0,1|2,0,0]=4 1540 B15R1.1076 CC(=O)NC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183797 [1,0,0,0,0,1|2,0,0]=4 1541 B15R1.1076 CC(CC(=O)CC(=O)N)c1ccccc1 1458a_100000183687_100000187820 [1,0,0,0,0,1|1,0,0]=3 1542 B15R1.1076 CC(CC(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000756946 [1,0,0,0,0,1|1,0,0]=3 1543 B15R1.1076 CC(CC(=O)CC(=O)[O-])c1ccccc1 1458a_100000183687_100020667443 [1,0,0,0,0,1|2,0,0]=4 1544 B15R1.1076 CC(NC(=O)CC(=O)N)c1ccccn1 240690a_100000181244_100134613110 [1,0,0,0,0,1|2,0,0]=4 1545 B15R1.1076 CC(NC(=O)CC(=O)N)c1ccccn1 527a_100000181244_100134613110 [1,0,0,0,0,1|2,0,0]=4 1546 B15R1.1076 CC(NC(=O)CC(=O)N)c1cccnc1 240690a_100000195435_100134613110 [1,0,0,0,0,1|2,0,0]=4 1547 B15R1.1076 CC(NC(=O)CC(=O)N)c1cccnc1 527a_100000195435_100134613110 [1,0,0,0,0,1|2,0,0]=4 1548 B15R1.1076 CC(NC(=O)CC(=O)N)c1ccncc1 240690a_100000181269_100134613110 [1,0,0,0,0,1|2,0,0]=4 1549 B15R1.1076 CC(NC(=O)CC(=O)N)c1ccncc1 527a_100000181269_100134613110 [1,0,0,0,0,1|2,0,0]=4 1550 B15R1.1076 CN(CC(=O)CC(=O)N)c1ccccc1 1458a_100000745425_100000187820 [1,0,0,0,0,1|2,0,0]=4 1551 B15R1.1076 CN(CC(=O)NC(=O)N)c1ccccc1 2230a_100000210012_100000182717 [1,0,0,0,0,1|1,0,0]=3 1552 B15R1.1076 CN(CC(=O)NC(=O)N)c1ccccc1 269982a_100000210012_100000182717 [1,0,0,0,0,1|1,0,0]=3 1553 B15R1.1076 C[C@@H](NC(=O)CC(=O)N)c1ccccc1 240690a_100000751104_100134613110 [1,0,0,0,0,1|1,0,0]=3 1554 B15R1.1076 C[C@@H](NC(=O)CC(=O)N)c1ccccc1 527a_100000751104_100134613110 [1,0,0,0,0,1|1,0,0]=3 1555 B15R1.1076 NC(=O)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000187820 [1,0,0,0,0,1|2,0,0]=4 1556 B15R1.1076 NC(=O)CC(=O)CC(O)c1ccccc1 1458a_100134613110_100000185958 [1,0,0,0,0,1|2,0,0]=4 1557 B15R1.1076 NC(=O)CC(=O)C[C@@H](O)c1ccccc1 1458a_100134613110_100011933945 [1,0,0,0,0,1|2,0,0]=4 1558 B15R1.1076 NC(=O)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182717 [1,0,0,0,0,1|1,0,1]=4 1559 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 11a_100000765925_100000751047 [1,0,0,0,0,1|2,0,0]=4 1560 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 1626a_100000765925_100000751047 [1,0,0,0,0,1|2,0,0]=4 1561 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 240690a_100000765925_100000751047 [1,0,0,0,0,1|2,0,0]=4 1562 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 527a_100000765925_100000751047 [1,0,0,0,0,1|2,0,0]=4 1563 B15R1.1078 CC(=O)NCC(=O)C(C)c1ccccc1 1458a_100000194580_100000230085 [1,0,0,0,0,1|1,0,0]=3 1564 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 11a_100000210012_100000194580 [1,0,0,0,0,1|2,0,0]=4 1565 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 11a_200000174886_100015343762 [1,0,0,0,0,1|2,0,0]=4 1566 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 1626a_100000210012_100000194580 [1,0,0,0,0,1|2,0,0]=4 1567 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 1626a_200000174886_100015343762 [1,0,0,0,0,1|2,0,0]=4 1568 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 22a_100000210012_100000194580 [1,0,0,0,0,1|2,0,0]=4 1569 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 240690a_200000174886_100015343762 [1,0,0,0,0,1|2,0,0]=4 1570 B15R1.1078 CC(=O)NCC(=O)N(C)c1ccccc1 527a_200000174886_100103153847 [1,0,0,0,0,1|2,0,0]=4 1571 B15R1.1078 CC(=O)NNC(=O)C(C)c1ccccn1 22a_100000189765_100000722050 [1,0,0,0,0,1|2,0,0]=4 1572 B15R1.1078 CC(=O)NNC(=O)C(F)c1ccccc1 22a_100000189765_100000698975 [1,0,0,0,0,1|2,0,0]=4 1573 B15R1.1078 CC(=O)NNC(=O)N(C)c1ccccc1 512a_100000189765_100000210012 [1,0,0,0,0,1|2,0,0]=4 1574 B15R1.1078 CC(=O)NNC(=O)[C@@H](C)c1ccccc1 22a_100000189765_100000751047 [1,0,0,0,0,1|1,0,0]=3 1575 B15R1.1078 CC(=O)NNC(=O)[C@H](O)c1ccccc1 22a_100000189765_100000684486 [1,0,0,0,0,1|2,0,0]=4 1576 B15R1.1078 CC(=O)OCC(=O)C(C)c1ccccc1 1458a_100000183556_100000230085 [1,0,0,0,0,1|2,0,0]=4 1577 B15R1.1078 CC(=O)SCC(=O)C(C)c1ccccc1 1458a_100000049016_100000230085 [1,0,0,0,0,1|2,0,0]=4 1578 B15R1.1078 CC(C(=O)CCC(=O)N)c1ccccc1 1458a_100011215257_100000230085 [1,0,0,0,0,1|1,0,0]=3 1579 B15R1.1078 CC(C(=O)CNC(=O)N)c1ccccc1 1458a_100000184981_100000230085 [1,0,0,0,0,1|0,0,0]=2 1580 B15R1.1078 CC(C(=O)CNC(=O)N)c1cnccn1 1458a_100000184981_200000703233 [1,0,0,0,0,1|2,0,0]=4 1581 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 11a_100000711301_100000722050 [1,0,0,0,0,1|1,0,0]=3 1582 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 240690a_100000711301_100000722050 [1,0,0,0,0,1|1,0,0]=3 1583 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 527a_100000711301_100000722050 [1,0,0,0,0,1|1,0,0]=3 1584 B15R1.1078 CC(C(=O)NCC(=O)N)c1ncccn1 11a_100000711301_100011934538 [1,0,0,0,0,1|2,0,0]=4 1585 B15R1.1078 CC(C(=O)NCC(=O)N)c1ncccn1 240690a_100000711301_100011934538 [1,0,0,0,0,1|2,0,0]=4 1586 B15R1.1078 CC(C(=O)NCC(=O)N)c1ncccn1 527a_100000711301_100011934538 [1,0,0,0,0,1|2,0,0]=4 1587 B15R1.1078 CN(C(=O)CCC(=O)N)c1ccccc1 22a_100000210012_100011215257 [1,0,0,0,0,1|2,0,0]=4 1588 B15R1.1078 CN(C(=O)CNC(=O)N)c1ccccc1 22a_100000210012_100000184981 [1,0,0,0,0,1|1,0,0]=3 1589 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000751047 [1,0,0,0,0,1|0,0,0]=2 1590 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000751047 [1,0,0,0,0,1|0,0,0]=2 1591 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000751047 [1,0,0,0,0,1|0,0,0]=2 1592 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 11a_100000711301_100000698975 [1,0,0,0,0,1|1,0,0]=3 1593 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 240690a_100000711301_100000698975 [1,0,0,0,0,1|1,0,0]=3 1594 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 527a_100000711301_100000698975 [1,0,0,0,0,1|1,0,0]=3 1595 B15R1.1078 NC(=O)CNC(=O)[C@H](O)c1ccccc1 240690a_100000711301_100000684486 [1,0,0,0,0,1|1,0,0]=3 1596 B15R1.4008 CCC(Cc1ccccc1)OCC(=O)N 7a_100000760156_100000187820 [1,0,0,0,0,1|2,0,0]=4 1597 B15R1.5331 CCC(C=NNC(=O)C)c1ccccc1 4a_100000189765_100000753018 [1,0,0,0,0,1|1,0,0]=3 1598 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 34a_100000752371_100000187820 [1,0,0,0,0,1|1,0,1]=4 1599 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 7a_100000752371_100000187820 [1,0,0,0,0,1|1,0,1]=4 1600 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 2230a_100000737752_100000744528 [1,0,0,0,0,1|1,0,1]=4 1601 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000210124 [1,0,0,0,0,1|1,0,1]=4 1602 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 34a_100000698172_100000731001 [1,0,0,0,0,1|1,0,1]=4 1603 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 7a_100000698172_100000744528 [1,0,0,0,0,1|1,0,1]=4 1604 B15R1.5331 CCN(CCNC(=O)N)c1ccccc1 2230a_100000210013_200000034859 [1,0,0,0,0,1|1,0,1]=4 1605 B15R1.5331 CCN(CCNC(=O)N)c1ccccc1 269982a_100000210013_200000034859 [1,0,0,0,0,1|1,0,1]=4 1606 B15R1.640 C=CCC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000210623 [1,0,0,0,0,1|2,0,0]=4 1607 B15R1.640 C=CCC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000210623 [1,0,0,0,0,1|2,0,0]=4 1608 B15R1.640 CCC(Oc1ccccc1)C(=O)NNC 22a_100016993582_100000211556 [1,0,0,0,0,1|2,0,0]=4 1609 B15R1.640 CCC(Sc1ccccc1)C(=O)NNC 22a_100016993582_100000230495 [1,0,0,0,0,1|2,0,0]=4 1610 B15R1.640 CCNC(=O)C(CC)Oc1ccccc1 11a_100015525214_100000211556 [1,0,0,0,0,1|1,0,1]=4 1611 B15R1.640 CCNC(=O)C(CC)Oc1ccccc1 240690a_100015525214_100000211556 [1,0,0,0,0,1|1,0,1]=4 1612 B15R1.640 CCNC(=O)C(CC)Oc1ccccc1 527a_100015525214_100000211556 [1,0,0,0,0,1|1,0,1]=4 1613 B15R1.640 CCNC(=O)C(CC)Sc1ccccc1 11a_100015525214_100000230495 [1,0,0,0,0,1|1,0,1]=4 1614 B15R1.640 CCNC(=O)C(CC)Sc1ccccc1 240690a_100015525214_100000230495 [1,0,0,0,0,1|1,0,1]=4 1615 B15R1.640 CCNC(=O)C(CC)Sc1ccccc1 527a_100015525214_100000230495 [1,0,0,0,0,1|1,0,1]=4 1616 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210193 [1,0,0,0,0,1|2,0,0]=4 1617 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210193 [1,0,0,0,0,1|2,0,0]=4 1618 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210193 [1,0,0,0,0,1|2,0,0]=4 1619 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000210193 [1,0,0,0,0,1|2,0,0]=4 1620 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210699 [1,0,0,0,0,1|2,0,0]=4 1621 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210699 [1,0,0,0,0,1|2,0,0]=4 1622 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210699 [1,0,0,0,0,1|2,0,0]=4 1623 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccc1 1626a_100000737752_100016273825 [1,0,0,0,0,1|2,0,0]=4 1624 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccc1 240690a_100000737752_100016273825 [1,0,0,0,0,1|2,0,0]=4 1625 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 11a_100000737752_200016279998 [1,0,0,0,0,1|2,0,0]=4 1626 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 1626a_100000737752_200016279998 [1,0,0,0,0,1|2,0,0]=4 1627 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 240690a_100000737752_200016279998 [1,0,0,0,0,1|2,0,0]=4 1628 B15R1.1257 CCC(NC(=O)C=CI)c1ccccc1 1626a_100000737752_100016256311 [1,0,0,0,0,1|2,0,0]=4 1629 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 273464a_100000737752_100016993582 [1,0,0,0,0,1|2,0,0]=4 1630 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 512a_100000737752_100016993582 [1,0,0,0,0,1|2,0,0]=4 1631 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 512a_100016993582_100000737752 [1,0,0,0,0,1|2,0,0]=4 1632 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100015525214 [1,0,0,0,0,1|1,0,1]=4 1633 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 2708a_100015525214_100000737752 [1,0,0,0,0,1|1,0,1]=4 1634 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100015525214 [1,0,0,0,0,1|1,0,1]=4 1635 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 273464a_100015525214_100000737752 [1,0,0,0,0,1|1,0,1]=4 1636 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 512a_100000737752_100015525214 [1,0,0,0,0,1|1,0,1]=4 1637 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 512a_100015525214_100000737752 [1,0,0,0,0,1|1,0,1]=4 1638 B15R1.671 CCN(Cc1ccccc1)C(=O)C(=O)N 240690a_100000186914_100011215815 [0,0,0,0,1,1|1,0,0]=3 1639 B15R1.671 CCN(Cc1ccccn1)C(=O)C(=O)N 240690a_100000201164_100011215815 [0,0,0,0,1,1|2,0,0]=4 1640 B15R1.671 CCN(Cc1cccnc1)C(=O)C(=O)N 240690a_100000186920_100011215815 [0,0,0,0,1,1|2,0,0]=4 1641 B15R1.671 CCN(Cc1ccncc1)C(=O)C(=O)N 240690a_100000186919_100011215815 [0,0,0,0,1,1|2,0,0]=4 1642 B15R1.519 CCC(NC(=O)CC(=O)N)c1ccco1 240690a_100015202707_100134613110 [0,0,0,0,1,1|2,0,0]=4 1643 B15R1.519 CCC(NC(=O)CC(=O)N)c1ccco1 527a_100015202707_100134613110 [0,0,0,0,1,1|2,0,0]=4 1644 B15R1.519 CCC(NC(=O)CC(=O)N)c1cccs1 240690a_100000743277_100134613110 [0,0,0,0,1,1|2,0,0]=4 1645 B15R1.519 CCC(NC(=O)CC(=O)N)c1cccs1 527a_100000743277_100134613110 [0,0,0,0,1,1|2,0,0]=4 1646 B15R1.3218 CCC(C(=O)NCC(=O)N)n1cccn1 11a_100000711301_100102952928 [0,0,0,0,1,1|2,0,0]=4 1647 B15R1.3218 CCC(C(=O)NCC(=O)N)n1cccn1 240690a_100000711301_100102952928 [0,0,0,0,1,1|2,0,0]=4 1648 B15R1.3218 CCC(C(=O)NCC(=O)N)n1cccn1 527a_100000711301_100102952928 [0,0,0,0,1,1|2,0,0]=4 1649 B17R1.2538 C#CC(OCC(=O)NC(=O)N)c1ccccc1 7a_100011219616_100000182717 [0,0,0,0,0,2|0,0,2]=4 1650 B17R1.2538 C=CC(OCC(=O)NC(=O)N)c1ccccc1 7a_100011215659_100000182717 [0,0,0,0,0,2|0,0,2]=4 1651 B17R1.2538 C=CC(SCC(=O)NC(=O)N)c1ccccc1 62a_200000085779_100000182717 [0,0,0,0,0,2|0,0,2]=4 1652 B17R1.2538 CC(=O)NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000183797 [0,0,0,0,0,2|2,0,0]=4 1653 B17R1.2538 CC(=O)NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000183797 [0,0,0,0,0,2|2,0,0]=4 1654 B17R1.2538 CCC(CNC(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000017708 [0,0,0,0,0,2|2,0,0]=4 1655 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1ccccc1 2230a_100000737752_100000182717 [0,0,0,0,0,2|0,0,0]=2 1656 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1ccccn1 2230a_100015186561_100000182717 [0,0,0,0,0,2|1,0,0]=3 1657 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1cccnc1 2230a_100000246009_100000182717 [0,0,0,0,0,2|1,0,0]=3 1658 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1cnccn1 2230a_200016994365_100000182717 [0,0,0,0,0,2|2,0,0]=4 1659 B17R1.2538 CCC(OCC(=O)NC(=O)C)c1ccccc1 7a_100000698172_100000183797 [0,0,0,0,0,2|1,0,0]=3 1660 B17R1.2538 CCC(OCC(=O)NC(=O)N)c1ccccc1 7a_100000698172_100000182717 [0,0,0,0,0,2|0,0,0]=2 1661 B17R1.2538 CCN(CCC(=O)NC(=O)N)c1ccccc1 2230a_100000210013_100000237605 [0,0,0,0,0,2|1,0,0]=3 1662 B17R1.2538 CCN(CCC(=O)NC(=O)N)c1ccccc1 269982a_100000210013_100000237605 [0,0,0,0,0,2|1,0,0]=3 1663 B17R1.2538 N#CC(OCC(=O)NC(=O)N)c1ccccc1 7a_100011217353_100000182717 [0,0,0,0,0,2|1,0,1]=4 1664 B17R1.2538 NC(=O)NC(=O)CNC(CO)c1ccccn1 2230a_100015196888_100000182717 [0,0,0,0,0,2|2,0,0]=4 1665 B17R1.2538 NC(=O)NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000182717 [0,0,0,0,0,2|1,0,0]=3 1666 B17R1.2538 NC(=O)NC(=O)CN[C@H](CO)c1ccncc1 2230a_100138412524_100000182717 [0,0,0,0,0,2|2,0,0]=4 1667 B17R1.2538 NC(=O)NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000182717 [0,0,0,0,0,2|1,0,0]=3 1668 B17R1.2538 NC(=O)NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000182717 [0,0,0,0,0,2|1,0,0]=3 1669 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100000765925 [0,0,0,0,0,2|2,0,0]=4 1670 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 2708a_100000765925_100000737752 [0,0,0,0,0,2|2,0,0]=4 1671 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100000765925 [0,0,0,0,0,2|2,0,0]=4 1672 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 273464a_100000765925_100000737752 [0,0,0,0,0,2|2,0,0]=4 1673 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 512a_100000737752_100000765925 [0,0,0,0,0,2|2,0,0]=4 1674 B17R1.3047 C=C(C)CNC(=O)NC(CC)c1ccccc1 512a_100000765925_100000737752 [0,0,0,0,0,2|2,0,0]=4 1675 B17R1.3047 CC(=O)NCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000194580 [0,0,0,0,0,2|2,0,0]=4 1676 B17R1.3047 CC(=O)NCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000194580 [0,0,0,0,0,2|2,0,0]=4 1677 B17R1.3047 CC(=O)NNC(=O)CC(CO)c1ccccc1 22a_100000189765_106726389045 [0,0,0,0,0,2|2,0,0]=4 1678 B17R1.3047 CC(=O)NNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100000189765 [0,0,0,0,0,2|2,0,0]=4 1679 B17R1.3047 CC(=O)NNC(=O)N[C@H](CO)c1ccccc1 512a_100000189765_100000751927 [0,0,0,0,0,2|2,0,0]=4 1680 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccccc1 240690a_100000737752_100011215257 [0,0,0,0,0,2|1,0,0]=3 1681 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccccc1 527a_100000737752_100011215257 [0,0,0,0,0,2|1,0,0]=3 1682 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccccn1 240690a_100015186561_100011215257 [0,0,0,0,0,2|2,0,0]=4 1683 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccccn1 527a_100015186561_100011215257 [0,0,0,0,0,2|2,0,0]=4 1684 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1cccnc1 240690a_100000246009_100011215257 [0,0,0,0,0,2|2,0,0]=4 1685 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1cccnc1 527a_100000246009_100011215257 [0,0,0,0,0,2|2,0,0]=4 1686 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccncc1 240690a_100000246010_100011215257 [0,0,0,0,0,2|2,0,0]=4 1687 B17R1.3047 CCC(NC(=O)CCC(=O)N)c1ccncc1 527a_100000246010_100011215257 [0,0,0,0,0,2|2,0,0]=4 1688 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccc1 11a_100000737752_100000194580 [0,0,0,0,0,2|1,0,0]=3 1689 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccc1 1626a_100000737752_100000194580 [0,0,0,0,0,2|1,0,0]=3 1690 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccc1 240690a_100000737752_100000194580 [0,0,0,0,0,2|1,0,0]=3 1691 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccc1 527a_100000737752_100000194580 [0,0,0,0,0,2|1,0,0]=3 1692 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccn1 11a_100015186561_100000194580 [0,0,0,0,0,2|2,0,0]=4 1693 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccn1 1626a_100015186561_100000194580 [0,0,0,0,0,2|2,0,0]=4 1694 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccn1 240690a_100015186561_100000194580 [0,0,0,0,0,2|2,0,0]=4 1695 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccccn1 527a_100015186561_100000194580 [0,0,0,0,0,2|2,0,0]=4 1696 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1cccnc1 11a_100000246009_100000194580 [0,0,0,0,0,2|2,0,0]=4 1697 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1cccnc1 1626a_100000246009_100000194580 [0,0,0,0,0,2|2,0,0]=4 1698 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1cccnc1 240690a_100000246009_100000194580 [0,0,0,0,0,2|2,0,0]=4 1699 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1cccnc1 527a_100000246009_100000194580 [0,0,0,0,0,2|2,0,0]=4 1700 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccncc1 11a_100000246010_100000194580 [0,0,0,0,0,2|2,0,0]=4 1701 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccncc1 1626a_100000246010_100000194580 [0,0,0,0,0,2|2,0,0]=4 1702 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccncc1 240690a_100000246010_100000194580 [0,0,0,0,0,2|2,0,0]=4 1703 B17R1.3047 CCC(NC(=O)CNC(=O)C)c1ccncc1 527a_100000246010_100000194580 [0,0,0,0,0,2|2,0,0]=4 1704 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccccc1 240690a_100000737752_100000184981 [0,0,0,0,0,2|0,0,0]=2 1705 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccccc1 527a_100000737752_100000184981 [0,0,0,0,0,2|0,0,0]=2 1706 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccccn1 240690a_100015186561_100000184981 [0,0,0,0,0,2|1,0,0]=3 1707 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccccn1 527a_100015186561_100000184981 [0,0,0,0,0,2|1,0,0]=3 1708 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1cccnc1 240690a_100000246009_100000184981 [0,0,0,0,0,2|1,0,0]=3 1709 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1cccnc1 527a_100000246009_100000184981 [0,0,0,0,0,2|1,0,0]=3 1710 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccncc1 240690a_100000246010_100000184981 [0,0,0,0,0,2|1,0,0]=3 1711 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1ccncc1 527a_100000246010_100000184981 [0,0,0,0,0,2|1,0,0]=3 1712 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1cnccn1 240690a_200016994365_100000184981 [0,0,0,0,0,2|2,0,0]=4 1713 B17R1.3047 CCC(NC(=O)CNC(=O)N)c1cnccn1 527a_200016994365_100000184981 [0,0,0,0,0,2|2,0,0]=4 1714 B17R1.3047 CCC(NC(=O)COC(=O)C)c1ccccc1 1626a_100000737752_100000183556 [0,0,0,0,0,2|2,0,0]=4 1715 B17R1.3047 CCC(NC(=O)COC(=O)C)c1ccccc1 240690a_100000737752_100000183556 [0,0,0,0,0,2|2,0,0]=4 1716 B17R1.3047 CCC(NC(=O)COC(=O)C)c1ccccc1 527a_100000737752_100000183556 [0,0,0,0,0,2|2,0,0]=4 1717 B17R1.3047 CCC(NC(=O)CSC(=O)C)c1ccccc1 11a_100000737752_100000049016 [0,0,0,0,0,2|2,0,0]=4 1718 B17R1.3047 CCC(NC(=O)CSC(=O)C)c1ccccc1 1626a_100000737752_100000049016 [0,0,0,0,0,2|2,0,0]=4 1719 B17R1.3047 CCC(NC(=O)CSC(=O)C)c1ccccc1 240690a_100000737752_100000049016 [0,0,0,0,0,2|2,0,0]=4 1720 B17R1.3047 CCC(NC(=O)CSC(=O)N)c1ccccc1 240690a_100000737752_200015941356 [0,0,0,0,0,2|1,0,0]=3 1721 B17R1.3047 CCC(NC(=O)CSC(=O)N)c1ccccn1 240690a_100015186561_200015941356 [0,0,0,0,0,2|2,0,0]=4 1722 B17R1.3047 CCC(NC(=O)CSC(=O)N)c1cccnc1 240690a_100000246009_200015941356 [0,0,0,0,0,2|2,0,0]=4 1723 B17R1.3047 CCC(NC(=O)CSC(=O)N)c1ccncc1 240690a_100000246010_200015941356 [0,0,0,0,0,2|2,0,0]=4 1724 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 2708a_100000737752_100000711301 [0,0,0,0,0,2|0,0,0]=2 1725 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100000711301_100000737752 [0,0,0,0,0,2|0,0,0]=2 1726 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100000737752_100000711301 [0,0,0,0,0,2|0,0,0]=2 1727 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 512a_100000737752_100000711301 [0,0,0,0,0,2|0,0,0]=2 1728 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccn1 2708a_100015186561_100000711301 [0,0,0,0,0,2|1,0,0]=3 1729 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccn1 273464a_100000711301_100015186561 [0,0,0,0,0,2|1,0,0]=3 1730 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccn1 273464a_100015186561_100000711301 [0,0,0,0,0,2|1,0,0]=3 1731 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccn1 512a_100015186561_100000711301 [0,0,0,0,0,2|1,0,0]=3 1732 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cccnc1 2708a_100000246009_100000711301 [0,0,0,0,0,2|1,0,0]=3 1733 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cccnc1 273464a_100000246009_100000711301 [0,0,0,0,0,2|1,0,0]=3 1734 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cccnc1 273464a_100000711301_100000246009 [0,0,0,0,0,2|1,0,0]=3 1735 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cccnc1 512a_100000246009_100000711301 [0,0,0,0,0,2|1,0,0]=3 1736 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccncc1 2708a_100000246010_100000711301 [0,0,0,0,0,2|1,0,0]=3 1737 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccncc1 273464a_100000246010_100000711301 [0,0,0,0,0,2|1,0,0]=3 1738 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccncc1 273464a_100000711301_100000246010 [0,0,0,0,0,2|1,0,0]=3 1739 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccncc1 512a_100000246010_100000711301 [0,0,0,0,0,2|1,0,0]=3 1740 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cnccn1 2708a_200016994365_100000711301 [0,0,0,0,0,2|2,0,0]=4 1741 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cnccn1 273464a_100000711301_200016994365 [0,0,0,0,0,2|2,0,0]=4 1742 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cnccn1 273464a_200016994365_100000711301 [0,0,0,0,0,2|2,0,0]=4 1743 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1cnccn1 512a_200016994365_100000711301 [0,0,0,0,0,2|2,0,0]=4 1744 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccccc1 273464a_100000737752_100000189765 [0,0,0,0,0,2|1,0,0]=3 1745 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccccc1 512a_100000189765_100000737752 [0,0,0,0,0,2|1,0,0]=3 1746 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccccn1 273464a_100015186561_100000189765 [0,0,0,0,0,2|2,0,0]=4 1747 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccccn1 512a_100000189765_100015186561 [0,0,0,0,0,2|2,0,0]=4 1748 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1cccnc1 273464a_100000246009_100000189765 [0,0,0,0,0,2|2,0,0]=4 1749 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1cccnc1 512a_100000189765_100000246009 [0,0,0,0,0,2|2,0,0]=4 1750 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccncc1 273464a_100000246010_100000189765 [0,0,0,0,0,2|2,0,0]=4 1751 B17R1.3047 CCC(NC(=O)NNC(=O)C)c1ccncc1 512a_100000189765_100000246010 [0,0,0,0,0,2|2,0,0]=4 1752 B17R1.3047 CCN(CC(=O)NNC(=O)C)c1ccccc1 2230a_100000210013_100000181415 [0,0,0,0,0,2|2,0,0]=4 1753 B17R1.3047 CCN(CC(=O)NNC(=O)C)c1ccccc1 269982a_100000210013_100000181415 [0,0,0,0,0,2|2,0,0]=4 1754 B17R1.3047 N#CC(CC(=O)NCC(=O)N)c1ccccc1 11a_100000711301_200000079825 [0,0,0,0,0,2|1,0,1]=4 1755 B17R1.3047 N#CC(CC(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_200000079825 [0,0,0,0,0,2|1,0,1]=4 1756 B17R1.3047 N#CC(CC(=O)NCC(=O)N)c1ccccc1 527a_100000711301_200000079825 [0,0,0,0,0,2|1,0,1]=4 1757 B17R1.3047 N#CC(NC(=O)CNC(=O)N)c1ccccc1 240690a_100020627052_100000184981 [0,0,0,0,0,2|1,0,1]=4 1758 B17R1.3047 N#CC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100000711301_100020627052 [0,0,0,0,0,2|1,0,1]=4 1759 B17R1.3047 N#CC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100020627052_100000711301 [0,0,0,0,0,2|1,0,1]=4 1760 B17R1.3047 NC(=O)CCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100011215257 [0,0,0,0,0,2|2,0,0]=4 1761 B17R1.3047 NC(=O)CCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100011215257 [0,0,0,0,0,2|2,0,0]=4 1762 B17R1.3047 NC(=O)CNC(=O)CC(CO)c1ccccc1 240690a_100000711301_106726389045 [0,0,0,0,0,2|1,0,0]=3 1763 B17R1.3047 NC(=O)CNC(=O)NC(CO)c1ccccn1 273464a_100000711301_100015196888 [0,0,0,0,0,2|2,0,0]=4 1764 B17R1.3047 NC(=O)CNC(=O)NC(CO)c1ccccn1 273464a_100015196888_100000711301 [0,0,0,0,0,2|2,0,0]=4 1765 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000711301_100000751927 [0,0,0,0,0,2|1,0,0]=3 1766 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100000711301 [0,0,0,0,0,2|1,0,0]=3 1767 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccncc1 273464a_100000711301_100138412524 [0,0,0,0,0,2|2,0,0]=4 1768 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccncc1 273464a_100138412524_100000711301 [0,0,0,0,0,2|2,0,0]=4 1769 B17R1.3047 NC(=O)NCC(=O)NC(CO)c1ccccn1 240690a_100015196888_100000184981 [0,0,0,0,0,2|2,0,0]=4 1770 B17R1.3047 NC(=O)NCC(=O)NC(CO)c1ccccn1 527a_100015196888_100000184981 [0,0,0,0,0,2|2,0,0]=4 1771 B17R1.3047 NC(=O)NCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000184981 [0,0,0,0,0,2|1,0,0]=3 1772 B17R1.3047 NC(=O)NCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000184981 [0,0,0,0,0,2|1,0,0]=3 1773 B17R1.3047 NC(=O)NCC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100000184981 [0,0,0,0,0,2|2,0,0]=4 1774 B17R1.3047 NC(=O)NCC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100000184981 [0,0,0,0,0,2|2,0,0]=4 1775 B17R1.3047 NC(=O)SCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_200015941356 [0,0,0,0,0,2|2,0,0]=4 1776 B17R1.19820 CCN(CC(=O)NC(=O)C)Cc1ccccc1 269982a_100000186914_100000183797 [0,0,0,0,0,2|2,0,0]=4 1777 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccccc1 2230a_100000186914_100000182717 [0,0,0,0,0,2|1,0,0]=3 1778 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccccc1 269982a_100000186914_100000182717 [0,0,0,0,0,2|1,0,0]=3 1779 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccccn1 2230a_100000201164_100000182717 [0,0,0,0,0,2|2,0,0]=4 1780 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccccn1 269982a_100000201164_100000182717 [0,0,0,0,0,2|2,0,0]=4 1781 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1cccnc1 2230a_100000186920_100000182717 [0,0,0,0,0,2|2,0,0]=4 1782 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1cccnc1 269982a_100000186920_100000182717 [0,0,0,0,0,2|2,0,0]=4 1783 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccncc1 2230a_100000186919_100000182717 [0,0,0,0,0,2|2,0,0]=4 1784 B17R1.19820 CCN(CC(=O)NC(=O)N)Cc1ccncc1 269982a_100000186919_100000182717 [0,0,0,0,0,2|2,0,0]=4 1785 B17R1.19820 NC(=O)CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100134613110 [0,0,0,0,0,2|2,0,0]=4 1786 B17R1.19820 NC(=O)CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100134613110 [0,0,0,0,0,2|2,0,0]=4 1787 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 11a_100000765925_100000211556 [0,0,0,0,0,2|2,0,0]=4 1788 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 1626a_100000765925_100000211556 [0,0,0,0,0,2|2,0,0]=4 1789 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 240690a_100000765925_100000211556 [0,0,0,0,0,2|2,0,0]=4 1790 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 527a_100000765925_100000211556 [0,0,0,0,0,2|2,0,0]=4 1791 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 11a_100000765925_100000230495 [0,0,0,0,0,2|2,0,0]=4 1792 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 1626a_100000765925_100000230495 [0,0,0,0,0,2|2,0,0]=4 1793 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 240690a_100000765925_100000230495 [0,0,0,0,0,2|2,0,0]=4 1794 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 527a_100000765925_100000230495 [0,0,0,0,0,2|2,0,0]=4 1795 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000211556 [0,0,0,0,0,2|0,0,0]=2 1796 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000211556 [0,0,0,0,0,2|0,0,0]=2 1797 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000211556 [0,0,0,0,0,2|0,0,0]=2 1798 B17R1.786 CCC(Oc1ccccc1)C(=O)NNC(=O)C 22a_100000189765_100000211556 [0,0,0,0,0,2|1,0,0]=3 1799 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000230495 [0,0,0,0,0,2|0,0,0]=2 1800 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000230495 [0,0,0,0,0,2|0,0,0]=2 1801 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000230495 [0,0,0,0,0,2|0,0,0]=2 1802 B17R1.786 CCC(Sc1ccccc1)C(=O)NNC(=O)C 22a_100000189765_100000230495 [0,0,0,0,0,2|1,0,0]=3 1803 B17R1.786 CCN(Cc1ccccc1)C(=O)CCC(=O)N 240690a_100000186914_100011215257 [0,0,0,0,0,2|2,0,0]=4 1804 B17R1.786 CCN(Cc1ccccc1)C(=O)CCC(=O)N 527a_100000186914_100011215257 [0,0,0,0,0,2|2,0,0]=4 1805 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)C 11a_100000186914_100000194580 [0,0,0,0,0,2|2,0,0]=4 1806 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)C 1626a_100000186914_100000194580 [0,0,0,0,0,2|2,0,0]=4 1807 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)C 240690a_100000186914_100000194580 [0,0,0,0,0,2|2,0,0]=4 1808 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)C 527a_100000186914_100000194580 [0,0,0,0,0,2|2,0,0]=4 1809 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)N 240690a_100000186914_100000184981 [0,0,0,0,0,2|1,0,0]=3 1810 B17R1.786 CCN(Cc1ccccc1)C(=O)CNC(=O)N 527a_100000186914_100000184981 [0,0,0,0,0,2|1,0,0]=3 1811 B17R1.786 CCN(Cc1ccccc1)C(=O)CSC(=O)N 240690a_100000186914_200015941356 [0,0,0,0,0,2|2,0,0]=4 1812 B17R1.786 CCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000186914 [0,0,0,0,0,2|1,0,0]=3 1813 B17R1.786 CCN(Cc1ccccn1)C(=O)CNC(=O)N 240690a_100000201164_100000184981 [0,0,0,0,0,2|2,0,0]=4 1814 B17R1.786 CCN(Cc1ccccn1)C(=O)CNC(=O)N 527a_100000201164_100000184981 [0,0,0,0,0,2|2,0,0]=4 1815 B17R1.786 CCN(Cc1ccccn1)C(=O)NCC(=O)N 273464a_100000711301_100000201164 [0,0,0,0,0,2|2,0,0]=4 1816 B17R1.786 CCN(Cc1cccnc1)C(=O)CNC(=O)N 240690a_100000186920_100000184981 [0,0,0,0,0,2|2,0,0]=4 1817 B17R1.786 CCN(Cc1cccnc1)C(=O)CNC(=O)N 527a_100000186920_100000184981 [0,0,0,0,0,2|2,0,0]=4 1818 B17R1.786 CCN(Cc1cccnc1)C(=O)NCC(=O)N 273464a_100000711301_100000186920 [0,0,0,0,0,2|2,0,0]=4 1819 B17R1.786 CCN(Cc1ccncc1)C(=O)CNC(=O)N 240690a_100000186919_100000184981 [0,0,0,0,0,2|2,0,0]=4 1820 B17R1.786 CCN(Cc1ccncc1)C(=O)NCC(=O)N 273464a_100000711301_100000186919 [0,0,0,0,0,2|2,0,0]=4 1821 B17R1.786 CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_200000210301 [0,0,0,0,0,2|1,0,0]=3 1822 B17R1.786 N#CC(Cc1ccccc1)C(=O)CNC(=O)N 1458a_100000184981_100000183401 [0,0,0,0,0,2|1,0,1]=4 1823 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000075392 [0,0,0,0,0,2|1,0,1]=4 1824 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000075392 [0,0,0,0,0,2|1,0,1]=4 1825 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000075392 [0,0,0,0,0,2|1,0,1]=4 1826 B17R1.786 [13CH3]N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_200025704644 [0,0,0,0,0,2|1,0,0]=3 1827 B17R1.7787 CCN(CCc1ccccc1)C(=O)CC(=O)N 240690a_100000741020_100134613110 [0,0,0,0,0,2|2,0,0]=4 1828 B17R1.7787 CCN(CCc1ccccc1)C(=O)CC(=O)N 527a_100000741020_100134613110 [0,0,0,0,0,2|2,0,0]=4 1829 B17R1.3106 C=C(C)C=NNC(=O)C(CC)c1ccccc1 4a_100000189840_100000210575 [0,0,0,0,0,2|2,0,0]=4 1830 B17R1.3106 C=C(C)CNNC(=O)C(CC)c1ccccc1 22a_100000729518_100000211302 [0,0,0,0,0,2|2,0,0]=4 1831 B17R1.3106 CC(=O)NCCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000189650 [0,0,0,0,0,2|2,0,0]=4 1832 B17R1.3106 CCC(C(=O)CCCC(=O)C)c1ccccc1 1458a_100000211302_100011215641 [0,0,0,0,0,2|2,0,0]=4 1833 B17R1.3106 CCC(C(=O)CCCC(=O)N)c1ccccc1 1458a_100000211302_100102525003 [0,0,0,0,0,2|1,0,0]=3 1834 B17R1.3106 CCC(C(=O)CCNC(=O)C)c1ccccc1 1458a_100000211302_100000189650 [0,0,0,0,0,2|1,0,0]=3 1835 B17R1.3106 CCC(C(=O)CCNC(=O)N)c1ccccc1 1458a_100000211302_200000034859 [0,0,0,0,0,2|0,0,0]=2 1836 B17R1.3106 CCC(C(=O)CCOC(=O)C)c1ccccc1 1458a_100000211302_100009814007 [0,0,0,0,0,2|2,0,0]=4 1837 B17R1.3106 CCC(C(=O)CCOC(=O)N)c1ccccc1 1458a_100000211302_200011214921 [0,0,0,0,0,2|1,0,0]=3 1838 B17R1.3106 CCC(C(=O)NCC=C(C)C)c1ccccc1 11a_100000718196_100000211302 [0,0,0,0,0,2|2,0,0]=4 1839 B17R1.3106 CCC(C(=O)NCC=C(C)C)c1ccccc1 1626a_100000718196_100000211302 [0,0,0,0,0,2|2,0,0]=4 1840 B17R1.3106 CCC(C(=O)NCC=C(C)C)c1ccccc1 527a_100000718196_100000211302 [0,0,0,0,0,2|2,0,0]=4 1841 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 11a_100000740010_100000211302 [0,0,0,0,0,2|0,0,0]=2 1842 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 240690a_100000740010_100000211302 [0,0,0,0,0,2|0,0,0]=2 1843 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 527a_100000740010_100000211302 [0,0,0,0,0,2|0,0,0]=2 1844 B17R1.3106 CCC(c1ccccc1)N(C)CCNC(=O)N 2230a_100000737544_200000034859 [0,0,0,0,0,2|2,0,0]=4 1845 B17R1.3106 CCC(c1ccccc1)N(C)CCNC(=O)N 269982a_100000737544_200000034859 [0,0,0,0,0,2|2,0,0]=4 1846 B17R1.3106 CCN(C(=O)CCNC(=O)C)c1ccccc1 11a_100000210013_100000183196 [0,0,0,0,0,2|2,0,0]=4 1847 B17R1.3106 CCN(C(=O)CCNC(=O)C)c1ccccc1 1626a_100000210013_100000183196 [0,0,0,0,0,2|2,0,0]=4 1848 B17R1.3106 CCN(C(=O)CCNC(=O)C)c1ccccc1 22a_100000210013_100000183196 [0,0,0,0,0,2|2,0,0]=4 1849 B17R1.3106 CCN(C(=O)CCNC(=O)N)c1ccccc1 22a_100000210013_100000181464 [0,0,0,0,0,2|1,0,0]=3 1850 B17R1.3106 CCN(C(=O)CNCC(=O)N)c1ccccc1 2230a_100000711301_100000183513 [0,0,0,0,0,2|1,0,0]=3 1851 B17R1.3106 CCN(C(=O)CNCC(=O)O)c1ccccc1 269956a_100016091260_100000183513 [0,0,0,0,0,2|2,0,0]=4 1852 B17R1.3106 CCN(C(=O)COCC(=O)N)c1ccccc1 1626a_100000210013_100011219004 [0,0,0,0,0,2|2,0,0]=4 1853 B17R1.3106 CCN(C(=O)COCC(=O)N)c1ccccc1 22a_100000210013_100011219004 [0,0,0,0,0,2|2,0,0]=4 1854 B17R1.3106 CCN(C(=O)CSCC(=O)N)c1ccccc1 11a_100000210013_100000150265 [0,0,0,0,0,2|2,0,0]=4 1855 B17R1.3106 CCN(C(=O)CSCC(=O)N)c1ccccc1 22a_100000210013_100000150265 [0,0,0,0,0,2|2,0,0]=4 1856 B17R1.3106 CCN(C(=O)CSCC(=O)N)c1ccccc1 62a_100000747473_100000183513 [0,0,0,0,0,2|2,0,0]=4 1857 B17R1.3106 CO[C@@H](C(=O)CCCC(=O)N)c1ccccc1 1458a_100000698336_100102525003 [0,0,0,0,0,2|2,0,0]=4 1858 B17R1.3106 CO[C@@H](C(=O)CCNC(=O)C)c1ccccc1 1458a_100000698336_100000189650 [0,0,0,0,0,2|2,0,0]=4 1859 B17R1.3106 CO[C@@H](C(=O)CCNC(=O)N)c1ccccc1 1458a_100000698336_200000034859 [0,0,0,0,0,2|1,0,0]=3 1860 B17R1.3106 CO[C@@H](C(=O)CCOC(=O)N)c1ccccc1 1458a_100000698336_200011214921 [0,0,0,0,0,2|2,0,0]=4 1861 B17R1.3106 CO[C@@H](C(=O)NCCC(=O)N)c1ccccc1 11a_100000740010_100000698336 [0,0,0,0,0,2|1,0,0]=3 1862 B17R1.3106 CO[C@@H](C(=O)NCCC(=O)N)c1ccccc1 240690a_100000740010_100000698336 [0,0,0,0,0,2|1,0,0]=3 1863 B17R1.3106 CO[C@@H](C(=O)NCCC(=O)N)c1ccccc1 527a_100000740010_100000698336 [0,0,0,0,0,2|1,0,0]=3 1864 B17R1.3106 NC(=O)CCCC(=O)C(CO)c1ccccc1 1458a_100011218805_100102525003 [0,0,0,0,0,2|2,0,0]=4 1865 B17R1.3106 NC(=O)CCNC(=O)C(CO)c1ccccc1 240690a_100000740010_100011218805 [0,0,0,0,0,2|1,0,0]=3 1866 B17R1.3106 NC(=O)NCCC(=O)C(CO)c1ccccc1 1458a_100011218805_200000034859 [0,0,0,0,0,2|1,0,0]=3 1867 B17R1.3106 NC(=O)OCCC(=O)C(CO)c1ccccc1 1458a_100011218805_200011214921 [0,0,0,0,0,2|2,0,0]=4