0 B13R1.123 C#CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000212058_200009866310 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.123 C#CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000038162_200009866310 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.123 C=CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100020586998_200009866310 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.123 C=CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210623_200009866310 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.123 CCCCc1[nH]c(=O)[nH]c(=O)c1C 271570a_100020621405_200009866310 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.123 CCCCc1[nH]c(nc(=O)c1F)C 271570a_100020621405_100010274585 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.123 CCCCc1cc(=O)[nH]c(=O)n1C 271570a_100020621405_100000093302 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.123 CCCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210303 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.123 CCCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210303 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.123 CCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210303 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.123 CCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210303_200009866310 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.123 CCCSc1cc(=O)[nH]c(=O)n1C 62a_100000210303_100000093302 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.123 CCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100015525214_200000042301 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.123 CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210202_200000042301 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.123 COCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000766300_200009866310 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.123 CSCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100011218213_200009866310 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.123 Cc1[nH]c(=O)cc(c1C)OCCF 34a_200000102741_100011217306 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.123 Cc1[nH]c(=O)cc(c1C)OCCF 7a_200000102741_100011217306 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.123 Cc1[nH]c(=O)cc(c1C)OCCO 34a_200000102741_100000211926 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.123 Cc1[nH]c(=O)cc(c1C)OCCO 7a_200000102741_100000211926 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)NCCO 27a_100000210304_200009866310 [0,0,0,0,0,0|1,0,0]=1 21 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCC#N 62a_100011215382_200009866310 [0,0,0,0,0,0|2,0,1]=3 22 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCC=O 62a_200015260668_200009866310 [0,0,0,0,0,0|1,0,2]=3 23 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCCF 62a_100011217306_200009866310 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCCO 62a_100000211926_200009866310 [0,0,0,0,0,0|1,0,0]=1 25 B13R1.123 Cc1cc(c(c(=O)[nH]1)C)OCCF 34a_200000102746_100011217306 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.123 Cc1cc(c(c(=O)[nH]1)C)OCCO 34a_200000102746_100000211926 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.123 Cc1nc(=O)c(c([nH]1)NCCO)F 27a_100000210304_100010274585 [0,0,0,0,0,0|3,0,1]=4 28 B13R1.123 Cc1nc(=O)c(c([nH]1)SCCO)F 62a_100000211926_100010274585 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.123 Cc1nc(=O)c(c([nH]1)SCCO)F 62a_100010274585_100000211926 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.123 Cn1c(cc(=O)[nH]c1=O)NCCO 27a_100000210304_100000093302 [0,0,0,0,0,0|3,0,0]=3 31 B13R1.123 Cn1c(cc(=O)[nH]c1=O)SCCF 62a_100011217306_100000093302 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.123 Cn1c(cc(=O)[nH]c1=O)SCCO 62a_100000211926_100000093302 [0,0,0,0,0,0|3,0,0]=3 33 B13R1.123 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCF 62a_100015361967_200000042301 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.40 C=C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100015277604_200009866310 [1,0,0,0,0,0|0,0,3]=4 35 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [1,0,0,0,0,0|0,0,2]=3 36 B12R1.40 CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100015525214_200009866310 [1,0,0,0,0,0|1,0,0]=2 37 B12R1.40 CCNc1cc(=O)[nH]c(=O)n1C 27a_100015525214_100000093302 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210202 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210202 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.40 CCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210202 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.40 CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210202_200009866310 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.40 CCSc1cc(=O)[nH]c(=O)n1C 62a_100000210202_100000093302 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_106832991635_200000042301 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_106832991635_200000042301 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.40 CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200000210301_200000042301 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.40 Cc1c([nH]c(=O)[nH]c1=O)SCF 62a_100015361967_200009866310 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.40 [13CH3]SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200025704644_200000042301 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.100 C#CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000212058_100000015670 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.100 C#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000038162_100000015670 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.100 CCCCc1cc(=O)[nH]c(=O)[nH]1 271570a_100020621405_100000015670 [1,0,0,0,0,0|1,0,0]=2 53 B12R1.100 CCCCc1cc([nH]c(=O)c1)C 271570a_100020621405_100009861981 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.100 CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210303_100000015670 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.100 COCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000766300_100000015670 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.100 CSCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218213_100000015670 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.100 Cc1cc(cc(=O)[nH]1)NCCO 27a_100000210304_100009861981 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCO 34a_100000039070_100000211926 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100000211926_100009861981 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100009861981_100000211926 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.100 N#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011215382_100000015670 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.100 O=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_200015260668_100000015670 [1,0,0,0,0,0|1,0,2]=4 63 B12R1.100 O=c1cc([nH]c(=O)[nH]1)NCCO 27a_100000210304_100000015670 [1,0,0,0,0,0|1,0,0]=2 64 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCF 62a_100011217306_100000015670 [1,0,0,0,0,0|2,0,0]=3 65 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCO 62a_100000211926_100000015670 [1,0,0,0,0,0|1,0,0]=2 66 B12R1.374 CCCCc1cc(=O)[nH]cc1F 271570a_100020621405_100009817642 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCO 34a_100000069390_100000211926 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100000211926_100009817642 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100009817642_100000211926 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.47 C#CCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000755551_200009866310 [0,1,0,0,0,0|1,0,1]=3 71 B14R1.47 C#CCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000688953_200009866310 [0,1,0,0,0,0|1,0,1]=3 72 B14R1.47 C#CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000038162_200000042301 [0,1,0,0,0,0|2,0,1]=4 73 B14R1.47 C/C=C/CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100102629194_200009866310 [0,1,0,0,0,0|1,0,2]=4 74 B14R1.47 C=CCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100015191253_200009866310 [0,1,0,0,0,0|1,0,1]=3 75 B14R1.47 C=CCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000754431_200009866310 [0,1,0,0,0,0|1,0,1]=3 76 B14R1.47 C=CCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100020586998_200000042301 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.47 C=CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210623_200000042301 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.47 CC#CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000685387_200009866310 [0,1,0,0,0,0|1,0,2]=4 79 B14R1.47 CC#CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000748600_200009866310 [0,1,0,0,0,0|1,0,2]=4 80 B14R1.47 CC=CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000070051_200009866310 [0,1,0,0,0,0|1,0,2]=4 81 B14R1.47 CCCC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016258520_200009866310 [0,1,0,0,0,0|1,0,1]=3 82 B14R1.47 CCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000102301_200009866310 [0,1,0,0,0,0|1,0,0]=2 83 B14R1.47 CCCCNc1cc(=O)[nH]c(=O)n1C 27a_100000102301_100000093302 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.47 CCCCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210210 [0,1,0,0,0,0|3,0,0]=4 85 B14R1.47 CCCCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210211 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.47 CCCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210210 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.47 CCCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210211_200009866310 [0,1,0,0,0,0|1,0,0]=2 88 B14R1.47 CCCCSc1cc(=O)[nH]c(=O)n1C 62a_100000210211_100000093302 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.47 CCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210303_200000042301 [0,1,0,0,0,0|2,0,0]=3 90 B14R1.47 CCOC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016256518_200009866310 [0,1,0,0,0,0|1,0,2]=4 91 B14R1.47 CCOCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000739092_200009866310 [0,1,0,0,0,0|2,0,0]=3 92 B14R1.47 COCC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016286323_200009866310 [0,1,0,0,0,0|0,0,2]=3 93 B14R1.47 COCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000209980_200009866310 [0,1,0,0,0,0|1,0,0]=2 94 B14R1.47 COCCNc1cc(=O)[nH]c(=O)n1C 27a_100000209980_100000093302 [0,1,0,0,0,0|3,0,0]=4 95 B14R1.47 COCCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100011201679 [0,1,0,0,0,0|3,0,0]=4 96 B14R1.47 COCCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000233755 [0,1,0,0,0,0|3,0,0]=4 97 B14R1.47 COCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100011201679 [0,1,0,0,0,0|3,0,0]=4 98 B14R1.47 COCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000233755_200009866310 [0,1,0,0,0,0|1,0,0]=2 99 B14R1.47 COCCSc1cc(=O)[nH]c(=O)n1C 62a_100000233755_100000093302 [0,1,0,0,0,0|3,0,0]=4 100 B14R1.47 COCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000766300_200000042301 [0,1,0,0,0,0|2,0,0]=3 101 B14R1.47 CSCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100020590264_200009866310 [0,1,0,0,0,0|1,1,0]=3 102 B14R1.47 CSCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000212216_200009866310 [0,1,0,0,0,0|1,1,0]=3 103 B14R1.47 CSCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100011218213_200000042301 [0,1,0,0,0,0|2,1,0]=4 104 B14R1.47 Cc1[nH]c(=O)cc(c1C)OCCCF 34a_200000102741_100011934791 [0,1,0,0,0,0|3,0,0]=4 105 B14R1.47 Cc1[nH]c(=O)cc(c1C)OCCCF 7a_200000102741_100011934791 [0,1,0,0,0,0|3,0,0]=4 106 B14R1.47 Cc1[nH]c(=O)cc(c1C)OCCCO 34a_200000102741_100000230001 [0,1,0,0,0,0|2,0,0]=3 107 B14R1.47 Cc1[nH]c(=O)cc(c1C)OCCCO 7a_200000102741_100011215043 [0,1,0,0,0,0|2,0,0]=3 108 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)NCCC#N 27a_100000720768_200009866310 [0,1,0,0,0,0|1,0,1]=3 109 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)NCCCF 27a_100015189416_200009866310 [0,1,0,0,0,0|1,0,0]=2 110 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)NCCCO 27a_100000182051_200009866310 [0,1,0,0,0,0|0,0,0]=1 111 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)SCCC#N 62a_100011215226_200009866310 [0,1,0,0,0,0|1,0,1]=3 112 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)SCCCF 62a_100011934791_200009866310 [0,1,0,0,0,0|1,0,0]=2 113 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)SCCCO 62a_100011215043_200009866310 [0,1,0,0,0,0|0,0,0]=1 114 B14R1.47 Cc1c([nH]c(=O)[nH]c1=O)SCSC#N 62a_100000211825_200009866310 [0,1,0,0,0,0|2,0,1]=4 115 B14R1.47 Cc1cc(c(c(=O)[nH]1)C)OCCCF 34a_200000102746_100011934791 [0,1,0,0,0,0|3,0,0]=4 116 B14R1.47 Cc1cc(c(c(=O)[nH]1)C)OCCCO 34a_200000102746_100000230001 [0,1,0,0,0,0|2,0,0]=3 117 B14R1.47 Cc1nc(=O)c(c([nH]1)NCCCO)F 27a_100000182051_100010274585 [0,1,0,0,0,0|2,0,1]=4 118 B14R1.47 Cc1nc(=O)c(c([nH]1)SCCCO)F 62a_100010274585_100011215043 [0,1,0,0,0,0|2,0,1]=4 119 B14R1.47 Cc1nc(=O)c(c([nH]1)SCCCO)F 62a_100011215043_100010274585 [0,1,0,0,0,0|2,0,1]=4 120 B14R1.47 Cn1c(cc(=O)[nH]c1=O)NCCCF 27a_100015189416_100000093302 [0,1,0,0,0,0|3,0,0]=4 121 B14R1.47 Cn1c(cc(=O)[nH]c1=O)NCCCO 27a_100000182051_100000093302 [0,1,0,0,0,0|2,0,0]=3 122 B14R1.47 Cn1c(cc(=O)[nH]c1=O)SCCCF 62a_100011934791_100000093302 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.47 Cn1c(cc(=O)[nH]c1=O)SCCCO 62a_100011215043_100000093302 [0,1,0,0,0,0|2,0,0]=3 124 B14R1.47 N#CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100011215382_200000042301 [0,1,0,0,0,0|2,0,1]=4 125 B14R1.47 O=CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200015260668_200000042301 [0,1,0,0,0,0|1,0,2]=4 126 B14R1.47 O=c1[nH]c(c(c(=O)[nH]1)Cl)CNCCO 2230a_100016997473_200000042301 [0,1,0,0,0,0|1,0,0]=2 127 B14R1.47 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCCF 62a_100011217306_200000042301 [0,1,0,0,0,0|2,0,0]=3 128 B14R1.47 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCCO 62a_100000211926_200000042301 [0,1,0,0,0,0|1,0,0]=2 129 B14R1.136 CCCCc1cc(=O)n(c(=O)n1C)C 271570a_100020621405_100000034780 [0,1,0,0,0,0|3,0,0]=4 130 B14R1.136 Cn1c(cc(=O)n(c1=O)C)NCCO 27a_100000210304_100000034780 [0,1,0,0,0,0|3,0,0]=4 131 B14R1.136 Cn1c(cc(=O)n(c1=O)C)SCCO 62a_100000034780_100000211926 [0,1,0,0,0,0|3,0,0]=4 132 B14R1.136 Cn1c(cc(=O)n(c1=O)C)SCCO 62a_100000211926_100000034780 [0,1,0,0,0,0|3,0,0]=4 133 B14R1.3150 C=C(C)CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000765925_200009866310 [0,1,0,0,0,0|2,0,1]=4 134 B14R1.3150 C=C(C)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000748629_200009866310 [0,1,0,0,0,0|2,0,1]=4 135 B14R1.3150 C=C(F)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000042424_200009866310 [0,1,0,0,0,0|2,0,1]=4 136 B14R1.3150 CC(C)NCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100138425928_200000042301 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.3150 CC(C)SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210206_200000042301 [0,1,0,0,0,0|3,0,0]=4 138 B14R1.3150 CC(O)CNc1cc(=O)[nH]c(=O)n1C 27a_100000210904_100000093302 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.3150 CC(O)CSc1cc(=O)[nH]c(=O)n1C 62a_100011218427_100000093302 [0,1,0,0,0,0|3,0,0]=4 140 B14R1.3150 C[C@@H](O)CSc1cc(=O)[nH]c(=O)n1C 62a_100009817552_100000093302 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.3150 Cc1[nH]c(=O)cc(c1C)OCC(C)O 34a_200000102741_100011218427 [0,1,0,0,0,0|3,0,0]=4 142 B14R1.3150 Cc1[nH]c(=O)cc(c1C)OCC(C)O 7a_200000102741_100011218427 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.3150 Cc1[nH]c(=O)cc(c1C)OC[C@@H](C)O 34a_200000102741_100009817552 [0,1,0,0,0,0|3,0,0]=4 144 B14R1.3150 Cc1[nH]c(=O)cc(c1C)OC[C@@H](C)O 7a_200000102741_100009817552 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)C=CC(C)C 271570a_100016257149_200009866310 [0,1,0,0,0,0|1,0,2]=4 146 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)C=CC(C)O 271570a_200011019289_200009866310 [0,1,0,0,0,0|0,0,2]=3 147 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)C 27a_100000210953_200009866310 [0,1,0,0,0,0|2,0,0]=3 148 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)O 27a_100000210904_200009866310 [0,1,0,0,0,0|1,0,0]=2 149 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)NCC(F)F 27a_100000765723_200009866310 [0,1,0,0,0,0|2,0,0]=3 150 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(=O)N 62a_100000747473_200009866310 [0,1,0,0,0,0|1,0,2]=4 151 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(=O)[O-] 62a_100020667443_200009866310 [0,1,0,0,0,0|1,0,2]=4 152 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)C 62a_100000210624_200009866310 [0,1,0,0,0,0|2,0,0]=3 153 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)O 62a_100011218427_200009866310 [0,1,0,0,0,0|1,0,0]=2 154 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(F)F 62a_100011934356_200009866310 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H](C)O 62a_100009817552_200009866310 [0,1,0,0,0,0|1,0,0]=2 156 B14R1.3150 Cc1cc(c(c(=O)[nH]1)C)OCC(C)O 34a_200000102746_100011218427 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.3150 Cc1cc(c(c(=O)[nH]1)C)OC[C@@H](C)O 34a_200000102746_100009817552 [0,1,0,0,0,0|3,0,0]=4 158 B14R1.7443 C#CCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000038162_100000080397 [0,1,0,0,0,0|2,0,1]=4 159 B14R1.7443 C=CCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000210623_100000080397 [0,1,0,0,0,0|2,0,1]=4 160 B14R1.7443 CCCCc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100020621405_100000080397 [0,1,0,0,0,0|1,0,0]=2 161 B14R1.7443 CCCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000210303_100000080397 [0,1,0,0,0,0|2,0,0]=3 162 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCC#N 62a_100011215382_100000080397 [0,1,0,0,0,0|2,0,1]=4 163 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCC=O 62a_200015260668_100000080397 [0,1,0,0,0,0|1,0,2]=4 164 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCCF 62a_100011217306_100000080397 [0,1,0,0,0,0|2,0,0]=3 165 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCCO 62a_100000211926_100000080397 [0,1,0,0,0,0|1,0,0]=2 166 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCOC 62a_100000766300_100000080397 [0,1,0,0,0,0|3,0,0]=4 167 B14R1.7443 CCc1c([nH]c(=O)[nH]c1=O)SCSC 62a_100011218213_100000080397 [0,1,0,0,0,0|3,0,0]=4 168 B14R1.18985 C#CCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000225692_200009866310 [0,1,0,0,0,0|2,0,1]=4 169 B14R1.18985 CCCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000747261_200009866310 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.18985 CN(CCO)c1cc(=O)[nH]c(=O)n1C 27a_100000210263_100000093302 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.18985 Cc1c([nH]c(=O)[nH]c1=O)N(C)CCO 27a_100000210263_200009866310 [0,1,0,0,0,0|1,0,0]=2 172 B14R1.19574 C#CC(C)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000707721_200009866310 [0,1,0,0,0,0|2,0,1]=4 173 B14R1.19574 C#CC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_200000035995_200009866310 [0,1,0,0,0,0|2,0,1]=4 174 B14R1.19574 C=CC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100011215867_200009866310 [0,1,0,0,0,0|2,0,1]=4 175 B14R1.19574 CC(CO)Sc1cc(=O)[nH]c(=O)n1C 62a_100012180447_100000093302 [0,1,0,0,0,0|3,0,0]=4 176 B14R1.19574 CCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000210414_200000042301 [0,1,0,0,0,0|2,0,1]=4 177 B14R1.19574 CCC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100000758301_200009866310 [0,1,0,0,0,0|2,0,0]=3 178 B14R1.19574 CCN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000225621_200000042301 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.19574 CCN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100000225621_200000042301 [0,1,0,0,0,0|3,0,0]=4 180 B14R1.19574 COC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100009879195_200009866310 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.19574 C[C@H](CO)Nc1cc(=O)[nH]c(=O)n1C 27a_100000737577_100000093302 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.19574 C[C@H](CO)Sc1cc(=O)[nH]c(=O)n1C 62a_100016084084_100000093302 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.19574 Cc1[nH]c(=O)cc(c1C)OC(C)CO 34a_200000102741_100012180447 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.19574 Cc1[nH]c(=O)cc(c1C)OC(C)CO 7a_200000102741_100012180447 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)N[C@H](C)CF 27a_100102880703_200009866310 [0,1,0,0,0,0|2,0,0]=3 186 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)N[C@H](C)CO 27a_100000737577_200009866310 [0,1,0,0,0,0|1,0,0]=2 187 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)SC(C)C#N 62a_100000703298_200009866310 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)SC(C)CO 62a_100012180447_200009866310 [0,1,0,0,0,0|1,0,0]=2 189 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)SC(F)C#N 62a_200000117898_200009866310 [0,1,0,0,0,0|2,0,1]=4 190 B14R1.19574 Cc1c([nH]c(=O)[nH]c1=O)S[C@H](C)CO 62a_100016084084_200009866310 [0,1,0,0,0,0|1,0,0]=2 191 B14R1.19574 Cc1cc(c(c(=O)[nH]1)C)OC(C)CO 34a_200000102746_100012180447 [0,1,0,0,0,0|3,0,0]=4 192 B14R1.19574 O=C(CO)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000210174_200000042301 [0,1,0,0,0,0|1,0,1]=3 193 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [0,0,1,0,0,0|2,0,1]=4 194 B12R0.113 COC(=O)NC(=O)CSCCCO 62a_100011215043_100000010850 [0,0,1,0,0,0|3,0,0]=4 195 B12R0.141 CC(NCCCF)C(=O)NC(=O)N 2230a_100015189416_100000183865 [0,0,1,0,0,0|2,0,1]=4 196 B12R0.141 CC(SCCCF)C(=O)NC(=O)N 62a_100000183865_100011934791 [0,0,1,0,0,0|2,0,1]=4 197 B12R0.141 CC(SCCCF)C(=O)NC(=O)N 62a_100011934791_100000183865 [0,0,1,0,0,0|2,0,1]=4 198 B12R0.141 CC(SCCCO)C(=O)NC(=O)N 62a_100000183865_100011215043 [0,0,1,0,0,0|1,0,1]=3 199 B12R0.141 CC(SCCCO)C(=O)NC(=O)N 62a_100011215043_100000183865 [0,0,1,0,0,0|1,0,1]=3 200 B12R0.141 CCCCNC(C)C(=O)NC(=O)N 2230a_100000102301_100000183865 [0,0,1,0,0,0|2,0,1]=4 201 B12R0.141 CCCCNC(C)C(=O)NC(=O)N 7a_106832991798_100000183865 [0,0,1,0,0,0|2,0,1]=4 202 B12R0.141 CCCCOC(C)C(=O)NC(=O)N 7a_100000210227_100000183865 [0,0,1,0,0,0|2,0,1]=4 203 B12R0.141 CCCCSC(C)C(=O)NC(=O)N 62a_100000183865_100000210210 [0,0,1,0,0,0|2,0,1]=4 204 B12R0.141 CCCCSC(C)C(=O)NC(=O)N 62a_100000210211_100000183865 [0,0,1,0,0,0|2,0,1]=4 205 B12R0.141 CN(CCCCO)C(=O)CC(=O)N 240690a_100000717598_100134613110 [0,0,1,0,0,0|2,0,1]=4 206 B14R2.8235 CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200000210301 [0,0,0,1,0,0|2,0,0]=3 207 B14R2.8235 [13CH3]N1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200025704644 [0,0,0,1,0,0|2,0,0]=3 208 B14R2.14969 Cc1c([nH]c(=O)[nH]c1=O)NC2CC2 27a_100000212008_200009866310 [0,0,0,1,0,0|2,0,0]=3 209 B14R2.23026 Cc1c([nH]c(=O)[nH]c1=O)N2CCC2 27a_100000754969_200009866310 [0,0,0,1,0,0|2,0,0]=3 210 B11R0.2 CC(=O)NC(=O)CSCCCO 62a_100011215043_100000183797 [1,0,1,0,0,0|2,0,0]=4 211 B11R0.2 CCCCC=CC(=O)CC(=O)N 1458a_100016266645_100000187820 [1,0,1,0,0,0|2,0,0]=4 212 B11R0.2 NC(=O)NC(=O)CSCCCO 62a_100011215043_100000182717 [1,0,1,0,0,0|1,0,1]=4 213 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [1,0,1,0,0,0|1,0,1]=4 214 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [1,0,1,0,0,0|1,0,1]=4 215 B11R0.154 COC(=O)CC(=O)NCCCO 240690a_100000182051_100000211351 [1,0,1,0,0,0|2,0,0]=4 216 B11R0.68 CC(NCCO)C(=O)NC(=O)N 2230a_100016997473_100000183865 [1,0,1,0,0,0|1,0,1]=4 217 B11R0.68 CC(SCCO)C(=O)NC(=O)N 62a_100000183865_100000211926 [1,0,1,0,0,0|1,0,1]=4 218 B11R0.68 CC(SCCO)C(=O)NC(=O)N 62a_100000211926_100000183865 [1,0,1,0,0,0|1,0,1]=4 219 B11R0.68 CCC/C=C(\C)/C(=O)CC(=O)N 1458a_200020648666_100000187820 [1,0,1,0,0,0|1,0,0]=3 220 B11R0.68 CCC/C=C(\C)/C(=O)CC(=O)[O-] 1458a_200020648666_100020667443 [1,0,1,0,0,0|2,0,0]=4 221 B11R0.68 CCCSC(C)C(=O)NC(=O)N 62a_100000183865_100000210303 [1,0,1,0,0,0|1,0,1]=4 222 B11R0.68 CCCSC(C)C(=O)NC(=O)N 62a_100000210303_100000183865 [1,0,1,0,0,0|1,0,1]=4 223 B11R0.68 CN(CCCO)C(=O)CC(=O)N 240690a_100000213112_100134613110 [1,0,1,0,0,0|2,0,0]=4 224 B11R0.68 CN(CCCO)C(=O)CC(=O)N 527a_100000213112_100134613110 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [2,0,0,0,0,0|2,0,0]=4 226 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [2,0,0,0,0,0|1,0,1]=4 227 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [2,0,0,0,0,0|2,0,0]=4 228 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [2,0,0,0,0,0|2,0,0]=4 229 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [2,0,0,0,0,0|2,0,0]=4 230 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [2,0,0,0,0,0|2,0,0]=4 231 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [2,0,0,0,0,0|2,0,0]=4 232 B11R1.24 O=c1cc(nc[nH]1)SCCO 62a_100012002517_100000211926 [2,0,0,0,0,0|1,0,1]=4 233 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [2,0,0,0,0,0|2,0,0]=4 234 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [2,0,0,0,0,0|2,0,0]=4 235 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [2,0,0,0,0,0|2,0,0]=4 236 B11R1.24 O=c1nc(cc[nH]1)NCCO 27a_100000210304_200000134032 [2,0,0,0,0,0|1,0,1]=4 237 B11R1.24 O=c1nc(cc[nH]1)SCCO 62a_100000211926_200000134032 [2,0,0,0,0,0|1,0,1]=4 238 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [2,0,0,0,0,0|0,0,2]=4 239 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [2,0,0,0,0,0|1,0,0]=3 240 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [2,0,0,0,0,0|1,0,0]=3 241 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [2,0,0,0,0,0|1,0,0]=3 242 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [2,0,0,0,0,0|0,0,2]=4 243 B11R1.34 CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015525214_100000015670 [2,0,0,0,0,0|1,0,0]=3 244 B11R1.34 CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210202_100000015670 [2,0,0,0,0,0|1,0,0]=3 245 B11R1.34 O=c1cc([nH]c(=O)[nH]1)SCF 62a_100015361967_100000015670 [2,0,0,0,0,0|2,0,0]=4 246 B13R0.55 CC(CCO)SC(C)C(=O)NC(=O)N 62a_100000183865_100009893172 [0,1,1,0,0,0|1,0,1]=4 247 B13R0.55 CC(CCO)SC(C)C(=O)NC(=O)N 62a_100009893172_100000183865 [0,1,1,0,0,0|1,0,1]=4 248 B13R0.55 CC(N[C@H](C)CCO)C(=O)NC(=O)N 2230a_100000706166_100000183865 [0,1,1,0,0,0|1,0,1]=4 249 B13R0.438 CC(NCCCCO)C(=O)NC(=O)N 2230a_100000750430_100000183865 [0,1,1,0,0,0|0,0,2]=4 250 B13R0.438 CC(SCCCCO)C(=O)NC(=O)N 62a_100000183865_100000210776 [0,1,1,0,0,0|0,0,2]=4 251 B13R0.438 CC(SCCCCO)C(=O)NC(=O)N 62a_100000210776_100000183865 [0,1,1,0,0,0|0,0,2]=4 252 B13R0.438 COCCCSC(C)C(=O)NC(=O)N 62a_100000183865_100000709357 [0,1,1,0,0,0|1,0,1]=4 253 B13R0.438 COCCCSC(C)C(=O)NC(=O)N 62a_100000709357_100000183865 [0,1,1,0,0,0|1,0,1]=4 254 B13R0.465 CC(C(=O)NC(=O)N)N(C)CCCO 2230a_100000213112_100000183865 [0,1,1,0,0,0|1,0,1]=4 255 B13R0.465 CC(C(=O)NC(=O)N)N(C)CCCO 269982a_100000213112_100000183865 [0,1,1,0,0,0|1,0,1]=4 256 B13R0.465 CCCCC(=O)C(C)C(=O)NC(=O)N 1458a_100000210183_100000183865 [0,1,1,0,0,0|1,0,1]=4 257 B13R0.480 CC(NC[C@H](O)CO)C(=O)NC(=O)N 2230a_100020644852_100000183865 [0,1,1,0,0,0|1,0,1]=4 258 B13R0.480 CC(SCC(O)CO)C(=O)NC(=O)N 62a_100000183865_100011219619 [0,1,1,0,0,0|1,0,1]=4 259 B13R0.480 CC(SCC(O)CO)C(=O)NC(=O)N 62a_100011219619_100000183865 [0,1,1,0,0,0|1,0,1]=4 260 B13R0.480 CC(SC[C@@H](C)CO)C(=O)NC(=O)N 62a_100000059175_100000183865 [0,1,1,0,0,0|1,0,1]=4 261 B13R0.480 CC(SC[C@@H](C)CO)C(=O)NC(=O)N 62a_100000183865_100000059175 [0,1,1,0,0,0|1,0,1]=4 262 B13R0.480 CC(SC[C@@H](O)CO)C(=O)NC(=O)N 62a_100000183865_100009815848 [0,1,1,0,0,0|1,0,1]=4 263 B13R0.480 CC(SC[C@@H](O)CO)C(=O)NC(=O)N 62a_100009815848_100000183865 [0,1,1,0,0,0|1,0,1]=4 264 B13R0.1403 CC(O)CCNC(C)C(=O)NC(=O)N 2230a_200000755665_100000183865 [0,1,1,0,0,0|1,0,1]=4 265 B13R0.1403 CC(O)CCSC(C)C(=O)NC(=O)N 62a_100000183865_100012276601 [0,1,1,0,0,0|1,0,1]=4 266 B13R0.1403 CC(O)CCSC(C)C(=O)NC(=O)N 62a_100012276601_100000183865 [0,1,1,0,0,0|1,0,1]=4 267 B13R1.2816 CC(=Cc1[nH]c(=O)[nH]c(=O)c1C)C 271570a_100102525489_200009866310 [1,1,0,0,0,0|0,0,2]=4 268 B13R1.2816 CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000070787_200000042301 [1,1,0,0,0,0|1,0,1]=4 269 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100102631434_200000042301 [1,1,0,0,0,0|2,0,0]=4 270 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100102631434_200000042301 [1,1,0,0,0,0|2,0,0]=4 271 B13R1.2816 Cc1c([nH]c(=O)[nH]c1=O)NC(C)C 27a_100138425928_200009866310 [1,1,0,0,0,0|1,0,0]=3 272 B13R1.2816 Cc1c([nH]c(=O)[nH]c1=O)SC(C)C 62a_100000210206_200009866310 [1,1,0,0,0,0|1,0,0]=3 273 B13R1.3980 CC=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100016259895_100000080397 [1,1,0,0,0,0|0,0,2]=4 274 B13R1.3980 CCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000210202_100000080397 [1,1,0,0,0,0|1,0,0]=3 275 B13R1.3980 CCc1c([nH]c(=O)[nH]c1=O)SCF 62a_100015361967_100000080397 [1,1,0,0,0,0|2,0,0]=4 276 B13R1.55 C#CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000755551_100000015670 [1,1,0,0,0,0|1,0,1]=4 277 B13R1.55 C#CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000688953_100000015670 [1,1,0,0,0,0|1,0,1]=4 278 B13R1.55 C=CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015191253_100000015670 [1,1,0,0,0,0|1,0,1]=4 279 B13R1.55 C=CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000754431_100000015670 [1,1,0,0,0,0|1,0,1]=4 280 B13R1.55 CCCC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016258520_100000015670 [1,1,0,0,0,0|1,0,1]=4 281 B13R1.55 CCCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000102301_100000015670 [1,1,0,0,0,0|1,0,0]=3 282 B13R1.55 CCCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210211_100000015670 [1,1,0,0,0,0|1,0,0]=3 283 B13R1.55 CCOCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000739092_100000015670 [1,1,0,0,0,0|2,0,0]=4 284 B13R1.55 COCC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016286323_100000015670 [1,1,0,0,0,0|0,0,2]=4 285 B13R1.55 COCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000209980_100000015670 [1,1,0,0,0,0|1,0,0]=3 286 B13R1.55 COCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000233755_100000015670 [1,1,0,0,0,0|1,0,0]=3 287 B13R1.55 CSCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020590264_100000015670 [1,1,0,0,0,0|1,1,0]=4 288 B13R1.55 CSCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000212216_100000015670 [1,1,0,0,0,0|1,1,0]=4 289 B13R1.55 Cc1cc(cc(=O)[nH]1)NCCCO 27a_100000182051_100009861981 [1,1,0,0,0,0|2,0,0]=4 290 B13R1.55 Cc1cc(cc(=O)[nH]1)OCCCO 34a_100000039070_100000230001 [1,1,0,0,0,0|2,0,0]=4 291 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCO 62a_100009861981_100011215043 [1,1,0,0,0,0|2,0,0]=4 292 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCO 62a_100011215043_100009861981 [1,1,0,0,0,0|2,0,0]=4 293 B13R1.55 N#CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000720768_100000015670 [1,1,0,0,0,0|1,0,1]=4 294 B13R1.55 N#CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011215226_100000015670 [1,1,0,0,0,0|1,0,1]=4 295 B13R1.55 O=c1cc([nH]c(=O)[nH]1)NCCCF 27a_100015189416_100000015670 [1,1,0,0,0,0|1,0,0]=3 296 B13R1.55 O=c1cc([nH]c(=O)[nH]1)NCCCO 27a_100000182051_100000015670 [1,1,0,0,0,0|0,0,0]=2 297 B13R1.55 O=c1cc([nH]c(=O)[nH]1)SCCCF 62a_100011934791_100000015670 [1,1,0,0,0,0|1,0,0]=3 298 B13R1.55 O=c1cc([nH]c(=O)[nH]1)SCCCO 62a_100011215043_100000015670 [1,1,0,0,0,0|0,0,0]=2 299 B13R1.55 O=c1cc(nc([nH]1)O)CNCCO 2230a_100016997473_100000185147 [1,1,0,0,0,0|0,0,2]=4 300 B13R1.55 O=c1cc(nc([nH]1)O)CNCCO 34a_100016990907_100000185147 [1,1,0,0,0,0|0,0,2]=4 301 B13R1.55 O=c1cc(nc([nH]1)O)CSCCO 62a_100000211926_100000185147 [1,1,0,0,0,0|0,0,2]=4 302 B13R1.136 CCCCc1cc(=O)n(c(=O)[nH]1)C 271570a_100020621405_100000723047 [1,1,0,0,0,0|1,0,0]=3 303 B13R1.136 CCCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000210303_100000723047 [1,1,0,0,0,0|2,0,0]=4 304 B13R1.136 CCCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000210303 [1,1,0,0,0,0|2,0,0]=4 305 B13R1.136 Cn1c(=O)cc([nH]c1=O)NCCO 27a_100000210304_100000723047 [1,1,0,0,0,0|1,0,0]=3 306 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCF 62a_100000723047_100011217306 [1,1,0,0,0,0|2,0,0]=4 307 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCF 62a_100011217306_100000723047 [1,1,0,0,0,0|2,0,0]=4 308 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCO 62a_100000211926_100000723047 [1,1,0,0,0,0|1,0,0]=3 309 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCO 62a_100000723047_100000211926 [1,1,0,0,0,0|1,0,0]=3 310 B13R1.450 CCCN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100000747261_100000015670 [1,1,0,0,0,0|2,0,0]=4 311 B13R1.450 CN(CCO)c1cc(=O)[nH]c(=O)[nH]1 27a_100000210263_100000015670 [1,1,0,0,0,0|1,0,0]=3 312 B13R1.2874 CC(CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100012180447_100000015670 [1,1,0,0,0,0|1,0,0]=3 313 B13R1.2874 CCC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000758301_100000015670 [1,1,0,0,0,0|2,0,0]=4 314 B13R1.2874 C[C@H](CF)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100102880703_100000015670 [1,1,0,0,0,0|2,0,0]=4 315 B13R1.2874 C[C@H](CO)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100000737577_100000015670 [1,1,0,0,0,0|1,0,0]=3 316 B13R1.2874 C[C@H](CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100016084084_100000015670 [1,1,0,0,0,0|1,0,0]=3 317 B13R1.3420 CC(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210953_100000015670 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.3420 CC(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210624_100000015670 [1,1,0,0,0,0|2,0,0]=4 319 B13R1.3420 CC(O)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_200011019289_100000015670 [1,1,0,0,0,0|0,0,2]=4 320 B13R1.3420 CC(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210904_100000015670 [1,1,0,0,0,0|1,0,0]=3 321 B13R1.3420 CC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218427_100000015670 [1,1,0,0,0,0|1,0,0]=3 322 B13R1.3420 C[C@@H](O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100009817552_100000015670 [1,1,0,0,0,0|1,0,0]=3 323 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)NCC(F)F 27a_100000765723_100000015670 [1,1,0,0,0,0|2,0,0]=4 324 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)SCC(F)F 62a_100011934356_100000015670 [1,1,0,0,0,0|2,0,0]=4 325 B13R1.556 CCCCc1cc(=O)[nH]cc1OC 271570a_100020621405_100121573661 [1,1,0,0,0,0|2,0,0]=4 326 B13R1.556 COc1c[nH]c(=O)cc1SCCO 62a_100000211926_100121573661 [1,1,0,0,0,0|2,0,0]=4 327 B13R1.556 COc1c[nH]c(=O)cc1SCCO 62a_100121573661_100000211926 [1,1,0,0,0,0|2,0,0]=4 328 B13R1.656 O=c1cc(c(c[nH]1)Cl)OCCCO 34a_100000069390_100000230001 [1,1,0,0,0,0|2,0,0]=4 329 B13R1.656 O=c1cc(c(c[nH]1)F)SCCCO 62a_100009817642_100011215043 [1,1,0,0,0,0|2,0,0]=4 330 B13R1.656 O=c1cc(c(c[nH]1)F)SCCCO 62a_100011215043_100009817642 [1,1,0,0,0,0|2,0,0]=4 331 B13R1.1622 Cc1[nH]c(c(c1SCCO)C)C=O 62a_100000211926_100009814790 [0,1,0,0,1,0|2,0,0]=4 332 B13R1.1622 Cc1[nH]c(c(c1SCCO)C)C=O 62a_100009814790_100000211926 [0,1,0,0,1,0|2,0,0]=4 333 B15R1.50 Cn1c(cc(=O)n(c1=O)C)CNCCO 2230a_100000241867_100000211926 [0,2,0,0,0,0|2,0,0]=4 334 B15R1.50 Cn1c(cc(=O)n(c1=O)C)NCCCO 27a_100000182051_100000034780 [0,2,0,0,0,0|2,0,0]=4 335 B15R1.50 Cn1c(cc(=O)n(c1=O)C)SCCCO 62a_100000034780_100011215043 [0,2,0,0,0,0|2,0,0]=4 336 B15R1.50 Cn1c(cc(=O)n(c1=O)C)SCCCO 62a_100011215043_100000034780 [0,2,0,0,0,0|2,0,0]=4 337 B15R1.537 C#CCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000718082_200009866310 [0,2,0,0,0,0|1,0,0]=3 338 B15R1.537 C#CCCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100011215417_200009866310 [0,2,0,0,0,0|1,0,0]=3 339 B15R1.537 C#CCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000688953_200000042301 [0,2,0,0,0,0|2,0,0]=4 340 B15R1.537 C=CCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000700776_200009866310 [0,2,0,0,0,0|1,0,0]=3 341 B15R1.537 C=CCCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100011713584_200009866310 [0,2,0,0,0,0|1,0,0]=3 342 B15R1.537 C=CCCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100015191253_200000042301 [0,2,0,0,0,0|2,0,0]=4 343 B15R1.537 C=CCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000754431_200000042301 [0,2,0,0,0,0|2,0,0]=4 344 B15R1.537 C=COCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000039644_200009866310 [0,2,0,0,0,0|1,0,0]=3 345 B15R1.537 CC/C=C\CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100103147603_200009866310 [0,2,0,0,0,0|1,0,1]=4 346 B15R1.537 CCC#CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100009813939_200009866310 [0,2,0,0,0,0|1,0,1]=4 347 B15R1.537 CCCCC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016275911_200009866310 [0,2,0,0,0,0|1,0,0]=3 348 B15R1.537 CCCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000209983_200009866310 [0,2,0,0,0,0|1,0,0]=3 349 B15R1.537 CCCCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210326_200009866310 [0,2,0,0,0,0|1,0,0]=3 350 B15R1.537 CCCCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000102301_200000042301 [0,2,0,0,0,0|2,0,0]=4 351 B15R1.537 CCCCNCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_106832991798_200000042301 [0,2,0,0,0,0|2,0,0]=4 352 B15R1.537 CCCCOCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_100000210227_200000042301 [0,2,0,0,0,0|2,0,0]=4 353 B15R1.537 CCCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210211_200000042301 [0,2,0,0,0,0|2,0,0]=4 354 B15R1.537 CCOCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100011200944_200009866310 [0,2,0,0,0,0|1,0,0]=3 355 B15R1.537 CCOCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210147_200009866310 [0,2,0,0,0,0|1,0,0]=3 356 B15R1.537 CCOCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000739092_200000042301 [0,2,0,0,0,0|2,0,0]=4 357 B15R1.537 CCSCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000106463_200009866310 [0,2,0,0,0,0|1,0,0]=3 358 B15R1.537 CCSCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000757381_200009866310 [0,2,0,0,0,0|1,0,0]=3 359 B15R1.537 COCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100150723488_200009866310 [0,2,0,0,0,0|0,0,0]=2 360 B15R1.537 COCCCNc1cc(=O)[nH]c(=O)n1C 27a_100150723488_100000093302 [0,2,0,0,0,0|2,0,0]=4 361 B15R1.537 COCCCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000740836 [0,2,0,0,0,0|2,0,0]=4 362 B15R1.537 COCCCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000740836 [0,2,0,0,0,0|2,0,0]=4 363 B15R1.537 COCCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000740836 [0,2,0,0,0,0|2,0,0]=4 364 B15R1.537 COCCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000709357_200009866310 [0,2,0,0,0,0|0,0,0]=2 365 B15R1.537 COCCCSc1cc(=O)[nH]c(=O)n1C 62a_100000709357_100000093302 [0,2,0,0,0,0|2,0,0]=4 366 B15R1.537 COCCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000209980_200000042301 [0,2,0,0,0,0|1,0,0]=3 367 B15R1.537 COCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000233755_200000042301 [0,2,0,0,0,0|1,0,0]=3 368 B15R1.537 CSCCCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000749238_200009866310 [0,2,0,0,0,0|0,1,0]=3 369 B15R1.537 CSCCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100020590264_200000042301 [0,2,0,0,0,0|1,1,0]=4 370 B15R1.537 CSCCOCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_100000230434_200000042301 [0,2,0,0,0,0|1,1,0]=4 371 B15R1.537 CSCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000212216_200000042301 [0,2,0,0,0,0|1,1,0]=4 372 B15R1.537 Cc1[nH]c(=O)cc(c1C)OCCCCO 34a_200000102741_100011216708 [0,2,0,0,0,0|2,0,0]=4 373 B15R1.537 Cc1[nH]c(=O)cc(c1C)OCCCCO 7a_200000102741_100000210776 [0,2,0,0,0,0|2,0,0]=4 374 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)NCCCCO 27a_100000750430_200009866310 [0,2,0,0,0,0|0,0,0]=2 375 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCC#CCO 62a_200000047223_200009866310 [0,2,0,0,0,0|0,0,1]=3 376 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCCCC#N 62a_100000687738_200009866310 [0,2,0,0,0,0|1,0,0]=3 377 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCCCC=O 62a_200011292268_200009866310 [0,2,0,0,0,0|0,0,1]=3 378 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCCCCF 62a_100000729493_200009866310 [0,2,0,0,0,0|1,0,0]=3 379 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCCCCO 62a_100000210776_200009866310 [0,2,0,0,0,0|0,0,0]=2 380 B15R1.537 Cc1c([nH]c(=O)[nH]c1=O)SCCSC#N 62a_100000034367_200009866310 [0,2,0,0,0,0|1,0,1]=4 381 B15R1.537 Cc1cc(c(c(=O)[nH]1)C)OCCCCO 34a_200000102746_100011216708 [0,2,0,0,0,0|2,0,0]=4 382 B15R1.537 Cn1c(cc(=O)[nH]c1=O)NCCCCO 27a_100000750430_100000093302 [0,2,0,0,0,0|2,0,0]=4 383 B15R1.537 Cn1c(cc(=O)[nH]c1=O)SCCCCO 62a_100000210776_100000093302 [0,2,0,0,0,0|2,0,0]=4 384 B15R1.537 N#CCCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100011215226_200000042301 [0,2,0,0,0,0|2,0,0]=4 385 B15R1.537 O=c1[nH]c(c(c(=O)[nH]1)Cl)CNCCCF 2230a_100015189416_200000042301 [0,2,0,0,0,0|2,0,0]=4 386 B15R1.537 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCCCF 62a_100011934791_200000042301 [0,2,0,0,0,0|2,0,0]=4 387 B15R1.537 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCCCO 62a_100011215043_200000042301 [0,2,0,0,0,0|1,0,0]=3 388 B15R1.2989 C=CC(O)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000730141_200009866310 [0,2,0,0,0,0|1,0,0]=3 389 B15R1.2989 CC(CF)OCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_100016041109_200000042301 [0,2,0,0,0,0|2,0,0]=4 390 B15R1.2989 CC(CO)CNc1cc(=O)[nH]c(=O)n1C 27a_100000744482_100000093302 [0,2,0,0,0,0|2,0,0]=4 391 B15R1.2989 CC(CO)SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100012180447_200000042301 [0,2,0,0,0,0|1,0,0]=3 392 B15R1.2989 CCC(=O)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000747405_200009866310 [0,2,0,0,0,0|1,0,1]=4 393 B15R1.2989 CCC(C)CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100020588543_200009866310 [0,2,0,0,0,0|1,0,0]=3 394 B15R1.2989 CCC(C)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000748023_200009866310 [0,2,0,0,0,0|1,0,0]=3 395 B15R1.2989 CCC(C)NCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000209981_200000042301 [0,2,0,0,0,0|2,0,0]=4 396 B15R1.2989 CCC(C)OCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_100000210228_200000042301 [0,2,0,0,0,0|2,0,0]=4 397 B15R1.2989 CCC(C)SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000758301_200000042301 [0,2,0,0,0,0|2,0,0]=4 398 B15R1.2989 CCC(O)CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100011218483_200009866310 [0,2,0,0,0,0|1,0,0]=3 399 B15R1.2989 CCC(O)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100011218378_200009866310 [0,2,0,0,0,0|1,0,0]=3 400 B15R1.2989 CC[C@H](C)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100009816398_200009866310 [0,2,0,0,0,0|1,0,0]=3 401 B15R1.2989 COC(=O)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000747449_200009866310 [0,2,0,0,0,0|1,0,1]=4 402 B15R1.2989 COC(C)SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100009879195_200000042301 [0,2,0,0,0,0|2,0,0]=4 403 B15R1.2989 CO[C@H](C)CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100020591295_200009866310 [0,2,0,0,0,0|1,0,0]=3 404 B15R1.2989 C[C@@H](CO)CSc1cc(=O)[nH]c(=O)n1C 62a_100000059175_100000093302 [0,2,0,0,0,0|2,0,0]=4 405 B15R1.2989 C[C@H](CO)NCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000737577_200000042301 [0,2,0,0,0,0|1,0,0]=3 406 B15R1.2989 C[C@H](CO)SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100016084084_200000042301 [0,2,0,0,0,0|1,0,0]=3 407 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OCC(O)CO 34a_200000102741_100011219619 [0,2,0,0,0,0|2,0,0]=4 408 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OCC(O)CO 7a_200000102741_100011219619 [0,2,0,0,0,0|2,0,0]=4 409 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OC[C@@H](C)CO 34a_200000102741_100000059175 [0,2,0,0,0,0|2,0,0]=4 410 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OC[C@@H](C)CO 7a_200000102741_100000059175 [0,2,0,0,0,0|2,0,0]=4 411 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OC[C@@H](O)CO 34a_200000102741_100009815848 [0,2,0,0,0,0|2,0,0]=4 412 B15R1.2989 Cc1[nH]c(=O)cc(c1C)OC[C@@H](O)CO 7a_200000102741_100009815848 [0,2,0,0,0,0|2,0,0]=4 413 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)CO 27a_100000744482_200009866310 [0,2,0,0,0,0|0,0,0]=2 414 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)NC[C@@H](F)CO 27a_100015665980_200009866310 [0,2,0,0,0,0|0,0,0]=2 415 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)NC[C@H](O)CO 27a_100020644852_200009866310 [0,2,0,0,0,0|0,0,0]=2 416 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)SCC(O)CO 62a_100011219619_200009866310 [0,2,0,0,0,0|0,0,0]=2 417 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H](C)CO 62a_100000059175_200009866310 [0,2,0,0,0,0|0,0,0]=2 418 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H](O)CF 62a_100015614560_200009866310 [0,2,0,0,0,0|1,0,0]=3 419 B15R1.2989 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_200009866310 [0,2,0,0,0,0|0,0,0]=2 420 B15R1.2989 Cc1cc(c(c(=O)[nH]1)C)OCC(O)CO 34a_200000102746_100011219619 [0,2,0,0,0,0|2,0,0]=4 421 B15R1.2989 Cc1cc(c(c(=O)[nH]1)C)OC[C@@H](C)CO 34a_200000102746_100000059175 [0,2,0,0,0,0|2,0,0]=4 422 B15R1.2989 Cc1cc(c(c(=O)[nH]1)C)OC[C@@H](O)CO 34a_200000102746_100009815848 [0,2,0,0,0,0|2,0,0]=4 423 B15R1.2989 Cn1c(cc(=O)[nH]c1=O)NC[C@@H](F)CO 27a_100015665980_100000093302 [0,2,0,0,0,0|2,0,0]=4 424 B15R1.2989 Cn1c(cc(=O)[nH]c1=O)NC[C@H](O)CO 27a_100020644852_100000093302 [0,2,0,0,0,0|2,0,0]=4 425 B15R1.2989 Cn1c(cc(=O)[nH]c1=O)SCC(O)CO 62a_100011219619_100000093302 [0,2,0,0,0,0|2,0,0]=4 426 B15R1.2989 Cn1c(cc(=O)[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100000093302 [0,2,0,0,0,0|2,0,0]=4 427 B15R1.4074 C#CCCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000688953_100000080397 [0,2,0,0,0,0|1,0,1]=4 428 B15R1.4074 C=CCCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000754431_100000080397 [0,2,0,0,0,0|1,0,1]=4 429 B15R1.4074 CCCC=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100016258520_100000080397 [0,2,0,0,0,0|1,0,1]=4 430 B15R1.4074 CCCCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000210211_100000080397 [0,2,0,0,0,0|1,0,0]=3 431 B15R1.4074 CCOCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000739092_100000080397 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)C=CCOC 271570a_100016286323_100000080397 [0,2,0,0,0,0|0,0,2]=4 433 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)SCCC#N 62a_100011215226_100000080397 [0,2,0,0,0,0|1,0,1]=4 434 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)SCCCF 62a_100011934791_100000080397 [0,2,0,0,0,0|1,0,0]=3 435 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)SCCCO 62a_100011215043_100000080397 [0,2,0,0,0,0|0,0,0]=2 436 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)SCCOC 62a_100000233755_100000080397 [0,2,0,0,0,0|1,0,0]=3 437 B15R1.4074 CCc1c([nH]c(=O)[nH]c1=O)SCCSC 62a_100000212216_100000080397 [0,2,0,0,0,0|1,1,0]=4 438 B15R1.15613 C=C(C)CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000730704_200009866310 [0,2,0,0,0,0|1,0,1]=4 439 B15R1.15613 CC(=O)CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000053229_200009866310 [0,2,0,0,0,0|0,0,2]=4 440 B15R1.15613 CC(C)CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000210953_200000042301 [0,2,0,0,0,0|2,0,0]=4 441 B15R1.15613 CC(C)CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210624_200000042301 [0,2,0,0,0,0|2,0,0]=4 442 B15R1.15613 CC(O)CCNc1cc(=O)[nH]c(=O)n1C 27a_200000755665_100000093302 [0,2,0,0,0,0|2,0,0]=4 443 B15R1.15613 CC(O)CCSc1cc(=O)[nH]c(=O)n1C 62a_100012276601_100000093302 [0,2,0,0,0,0|2,0,0]=4 444 B15R1.15613 CC(O)CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000210904_200000042301 [0,2,0,0,0,0|1,0,0]=3 445 B15R1.15613 CC(O)CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100011218427_200000042301 [0,2,0,0,0,0|1,0,0]=3 446 B15R1.15613 C[C@@H](O)CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100009817552_200000042301 [0,2,0,0,0,0|1,0,0]=3 447 B15R1.15613 Cc1[nH]c(=O)cc(c1C)OCCC(C)O 34a_200000102741_100012276601 [0,2,0,0,0,0|2,0,0]=4 448 B15R1.15613 Cc1[nH]c(=O)cc(c1C)OCCC(C)O 7a_200000102741_100012276601 [0,2,0,0,0,0|2,0,0]=4 449 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)C=CCC(C)C 271570a_100016259101_200009866310 [0,2,0,0,0,0|1,0,1]=4 450 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)NCCC(=O)N 27a_100000740010_200009866310 [0,2,0,0,0,0|0,0,2]=4 451 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)NCCC(C)C 27a_100000210545_200009866310 [0,2,0,0,0,0|1,0,0]=3 452 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)NCCC(C)O 27a_200000755665_200009866310 [0,2,0,0,0,0|0,0,0]=2 453 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)NCCN(C)C 27a_100000210585_200009866310 [0,2,0,0,0,0|2,0,0]=4 454 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)SCCC(=O)N 62a_100000744528_200009866310 [0,2,0,0,0,0|0,0,2]=4 455 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)SCCC(C)C 62a_100000210312_200009866310 [0,2,0,0,0,0|1,0,0]=3 456 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)SCCC(C)O 62a_100012276601_200009866310 [0,2,0,0,0,0|0,0,0]=2 457 B15R1.15613 Cc1c([nH]c(=O)[nH]c1=O)SCOC(C)C 62a_100000709892_200009866310 [0,2,0,0,0,0|2,0,0]=4 458 B15R1.15613 Cc1cc(c(c(=O)[nH]1)C)OCCC(C)O 34a_200000102746_100012276601 [0,2,0,0,0,0|2,0,0]=4 459 B15R1.15613 O=C(O)CNCc1[nH]c(=O)[nH]c(=O)c1Cl 269956a_100016091260_200000042301 [0,2,0,0,0,0|1,0,1]=4 460 B15R1.15613 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCC(F)F 62a_100011934356_200000042301 [0,2,0,0,0,0|2,0,0]=4 461 B15R1.45495 C=CCCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100020639649_200009866310 [0,2,0,0,0,0|1,0,1]=4 462 B15R1.45495 CCCCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000207549_200009866310 [0,2,0,0,0,0|1,0,0]=3 463 B15R1.45495 CN(CCCO)c1cc(=O)[nH]c(=O)n1C 27a_100000213112_100000093302 [0,2,0,0,0,0|2,0,0]=4 464 B15R1.45495 COCCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000743101_200009866310 [0,2,0,0,0,0|1,0,0]=3 465 B15R1.45495 CSCCN(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000686725_200009866310 [0,2,0,0,0,0|1,1,0]=4 466 B15R1.45495 Cc1c([nH]c(=O)[nH]c1=O)N(C)CCC#N 27a_100000184479_200009866310 [0,2,0,0,0,0|1,0,1]=4 467 B15R1.45495 Cc1c([nH]c(=O)[nH]c1=O)N(C)CCCO 27a_100000213112_200009866310 [0,2,0,0,0,0|0,0,0]=2 468 B15R1.45883 CC(CCO)Sc1cc(=O)[nH]c(=O)n1C 62a_100009893172_100000093302 [0,2,0,0,0,0|2,0,0]=4 469 B15R1.45883 CCCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000211992_200000042301 [0,2,0,0,0,0|2,0,0]=4 470 B15R1.45883 CCCC(C)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000741246_200009866310 [0,2,0,0,0,0|1,0,0]=3 471 B15R1.45883 CCCC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100000766640_200009866310 [0,2,0,0,0,0|1,0,0]=3 472 B15R1.45883 CCCN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000747261_200000042301 [0,2,0,0,0,0|2,0,0]=4 473 B15R1.45883 CCCN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100000747261_200000042301 [0,2,0,0,0,0|2,0,0]=4 474 B15R1.45883 CN(CCO)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100000210263_200000042301 [0,2,0,0,0,0|1,0,0]=3 475 B15R1.45883 CN(CCO)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100000210263_200000042301 [0,2,0,0,0,0|1,0,0]=3 476 B15R1.45883 COCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000210968_200000042301 [0,2,0,0,0,0|1,0,1]=4 477 B15R1.45883 COCC(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100000765312_200009866310 [0,2,0,0,0,0|1,0,0]=3 478 B15R1.45883 COC[C@@H](C)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000764878_200009866310 [0,2,0,0,0,0|1,0,0]=3 479 B15R1.45883 C[C@H](CCO)Nc1cc(=O)[nH]c(=O)n1C 27a_100000706166_100000093302 [0,2,0,0,0,0|2,0,0]=4 480 B15R1.45883 Cc1[nH]c(=O)cc(c1C)OC(C)CCO 34a_200000102741_100009893172 [0,2,0,0,0,0|2,0,0]=4 481 B15R1.45883 Cc1[nH]c(=O)cc(c1C)OC(C)CCO 7a_200000102741_100009893172 [0,2,0,0,0,0|2,0,0]=4 482 B15R1.45883 Cc1c([nH]c(=O)[nH]c1=O)N[C@@H](C)CC#N 27a_100016994482_200009866310 [0,2,0,0,0,0|1,0,1]=4 483 B15R1.45883 Cc1c([nH]c(=O)[nH]c1=O)N[C@H](C)CCO 27a_100000706166_200009866310 [0,2,0,0,0,0|0,0,0]=2 484 B15R1.45883 Cc1c([nH]c(=O)[nH]c1=O)SC(C)CC#N 62a_100009813641_200009866310 [0,2,0,0,0,0|1,0,1]=4 485 B15R1.45883 Cc1c([nH]c(=O)[nH]c1=O)SC(C)CCO 62a_100009893172_200009866310 [0,2,0,0,0,0|0,0,0]=2 486 B15R1.45883 Cc1cc(c(c(=O)[nH]1)C)OC(C)CCO 34a_200000102746_100009893172 [0,2,0,0,0,0|2,0,0]=4 487 B15R1.45883 O=C(CCO)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100011216618_200000042301 [0,2,0,0,0,0|1,0,0]=3 488 B15R1.3555 Cc1c([nH]c(=O)[nH]c1=O)N(C)CC(C)C 27a_100000747067_200009866310 [0,2,0,0,0,0|2,0,0]=4 489 B15R1.3555 Cc1c([nH]c(=O)[nH]c1=O)N(C)CC(C)O 27a_100000227577_200009866310 [0,2,0,0,0,0|1,0,0]=3 490 B15R1.3555 Cc1c([nH]c(=O)[nH]c1=O)[C@@H](N)CC(C)C 271570a_100015190218_200009866310 [0,2,0,0,0,0|1,0,0]=3 491 B15R1.4935 CCc1c([nH]c(=O)[nH]c1=O)C=CC(C)O 271570a_200011019289_100000080397 [0,2,0,0,0,0|0,0,2]=4 492 B15R1.4935 CCc1c([nH]c(=O)[nH]c1=O)SCC(C)C 62a_100000210624_100000080397 [0,2,0,0,0,0|2,0,0]=4 493 B15R1.4935 CCc1c([nH]c(=O)[nH]c1=O)SCC(C)O 62a_100011218427_100000080397 [0,2,0,0,0,0|1,0,0]=3 494 B15R1.4935 CCc1c([nH]c(=O)[nH]c1=O)SCC(F)F 62a_100011934356_100000080397 [0,2,0,0,0,0|2,0,0]=4 495 B15R1.4935 CCc1c([nH]c(=O)[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100000080397 [0,2,0,0,0,0|1,0,0]=3 496 B15R1.15607 C[C@@H](O)C(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000717761_200000042301 [0,2,0,0,0,0|1,0,1]=4 497 B15R1.15607 C[C@H](O)C(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_217856618621_200000042301 [0,2,0,0,0,0|1,0,1]=4 498 B15R1.15607 Cc1c([nH]c(=O)[nH]c1=O)NC(C)C(C)C 27a_100000211541_200009866310 [0,2,0,0,0,0|2,0,0]=4 499 B15R1.15607 O=C(Cc1[nH]c(=O)[nH]c(=O)c1Cl)C(O)O 1458a_100000233687_200000042301 [0,2,0,0,0,0|1,0,1]=4 500 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)C=CC(C)(C)O 271570a_200016258132_200009866310 [0,2,0,0,0,0|0,0,2]=4 501 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)(C)C 27a_100000743828_200009866310 [0,2,0,0,0,0|2,0,0]=4 502 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)(C)F 27a_100020643315_200009866310 [0,2,0,0,0,0|2,0,0]=4 503 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)(C)O 27a_100000751335_200009866310 [0,2,0,0,0,0|1,0,0]=3 504 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)(F)F 27a_100000731000_200009866310 [0,2,0,0,0,0|2,0,0]=4 505 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)NCC(F)(F)F 27a_100000717047_200009866310 [0,2,0,0,0,0|2,0,0]=4 506 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)(C)C 62a_100011219605_200009866310 [0,2,0,0,0,0|2,0,0]=4 507 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)(C)F 62a_100011997219_200009866310 [0,2,0,0,0,0|2,0,0]=4 508 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)(C)O 62a_100000764493_200009866310 [0,2,0,0,0,0|1,0,0]=3 509 B15R1.15617 Cc1c([nH]c(=O)[nH]c1=O)SCC(F)(F)F 62a_100000763148_200009866310 [0,2,0,0,0,0|2,0,0]=4 510 B15R1.21576 CCc1c([nH]c(=O)[nH]c1=O)SC(C)CC 62a_100000758301_100000080397 [0,2,0,0,0,0|2,0,0]=4 511 B15R1.21576 CCc1c([nH]c(=O)[nH]c1=O)SC(C)CO 62a_100012180447_100000080397 [0,2,0,0,0,0|1,0,0]=3 512 B15R1.21576 CCc1c([nH]c(=O)[nH]c1=O)S[C@H](C)CO 62a_100016084084_100000080397 [0,2,0,0,0,0|1,0,0]=3 513 B15R1.24669 CCCN(CC)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000226822_200009866310 [0,2,0,0,0,0|2,0,0]=4 514 B15R1.24669 CCN(CCO)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000210973_200009866310 [0,2,0,0,0,0|1,0,0]=3 515 B15R1.46757 CCC(C)N(C)c1[nH]c(=O)[nH]c(=O)c1C 27a_100000741768_200009866310 [0,2,0,0,0,0|2,0,0]=4 516 B15R1.46757 Cc1c([nH]c(=O)[nH]c1=O)N(C)C(C)CO 27a_100000693034_200009866310 [0,2,0,0,0,0|1,0,0]=3 517 B15R1.28240 CCC(C)(C)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000211385_200009866310 [0,2,0,0,0,0|2,0,0]=4 518 B15R1.28240 CCC(C)(C)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100000032637_200009866310 [0,2,0,0,0,0|2,0,0]=4 519 B15R1.28240 Cc1c([nH]c(=O)[nH]c1=O)NC(C)(C)CO 27a_100000210608_200009866310 [0,2,0,0,0,0|1,0,0]=3 520 B15R1.28240 Cc1c([nH]c(=O)[nH]c1=O)SC(F)(F)CO 62a_100011217949_200009866310 [0,2,0,0,0,0|1,0,0]=3 521 B15R1.30084 C=C[C@@H](CO)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100016989147_200009866310 [0,2,0,0,0,0|1,0,0]=3 522 B15R1.30084 CCC(CC)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000199018_200009866310 [0,2,0,0,0,0|2,0,0]=4 523 B15R1.30084 CCC(CC)Sc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210505_200009866310 [0,2,0,0,0,0|2,0,0]=4 524 B15R1.30084 CC[C@@H](CO)Nc1[nH]c(=O)[nH]c(=O)c1C 27a_100000709445_200009866310 [0,2,0,0,0,0|1,0,0]=3 525 B15R1.30084 Cc1c([nH]c(=O)[nH]c1=O)NC(CO)CO 27a_100000759517_200009866310 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.1041 CC(SCC1CO1)C(=O)NC(=O)N 62a_100000183865_102125554688 [0,0,1,1,0,0|1,0,1]=4 527 B13R1.1041 CC(SCC1CO1)C(=O)NC(=O)N 62a_102125554688_100000183865 [0,0,1,1,0,0|1,0,1]=4 528 B13R1.1041 CC(SC[C@@H]1CO1)C(=O)NC(=O)N 62a_100000183865_100000745022 [0,0,1,1,0,0|1,0,1]=4 529 B13R1.1041 CC(SC[C@@H]1CO1)C(=O)NC(=O)N 62a_100000745022_100000183865 [0,0,1,1,0,0|1,0,1]=4 530 B13R2.11035 Cc1c([nH]c(=O)[nH]c1=O)C2CC2 271570a_100011220607_200009866310 [1,0,0,1,0,0|0,0,0]=2 531 B13R2.11035 Cn1c(cc(=O)[nH]c1=O)C2CC2 271570a_100011220607_100000093302 [1,0,0,1,0,0|2,0,0]=4 532 B13R2.140 O=c1cc([nH]c(=O)[nH]1)N2CCC2 27a_100000754969_100000015670 [1,0,0,1,0,0|2,0,0]=4 533 B13R2.141 O=c1cc([nH]c(=O)[nH]1)NC2CC2 27a_100000212008_100000015670 [1,0,0,1,0,0|2,0,0]=4 534 B15R2.8450 Cc1c([nH]c(=O)[nH]c1=O)C2=CCCC2 271570a_100000089523_200009866310 [0,1,0,1,0,0|1,0,0]=3 535 B15R2.8450 Cc1c([nH]c(=O)[nH]c1=O)C2=CCOC2 271570a_100009872500_200009866310 [0,1,0,1,0,0|0,0,2]=4 536 B15R2.8450 Cc1c([nH]c(=O)[nH]c1=O)C2=COCC2 271570a_100000118173_200009866310 [0,1,0,1,0,0|0,0,1]=3 537 B15R2.8450 Cc1c([nH]c(=O)[nH]c1=O)N2CCCC2 27a_100000188435_200009866310 [0,1,0,1,0,0|1,0,0]=3 538 B15R2.8450 Cc1c([nH]c(=O)[nH]c1=O)N2CCSC2 27a_100011215254_200009866310 [0,1,0,1,0,0|1,1,0]=4 539 B15R2.15464 Cc1c([nH]c(=O)[nH]c1=O)N2CCC2C 27a_100000755817_200009866310 [0,1,0,1,0,0|1,0,0]=3 540 B15R2.21329 CCN1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_100000210202 [0,1,0,1,0,0|1,0,0]=3 541 B15R2.27645 Cc1c([nH]c(=O)[nH]c1=O)N[C@@H]2C[C@@H]2F 27a_100015190264_200009866310 [0,1,0,1,0,0|1,0,0]=3 542 B15R2.27645 Cc1c([nH]c(=O)[nH]c1=O)N[C@@H]2C[C@H]2F 27a_100025746932_200009866310 [0,1,0,1,0,0|1,0,0]=3 543 B15R2.27647 Cc1c([nH]c(=O)[nH]c1=O)NC2CCC2 27a_100000749019_200009866310 [0,1,0,1,0,0|1,0,0]=3 544 B15R2.27647 Cc1c([nH]c(=O)[nH]c1=O)NC2COC2 27a_100016991112_200009866310 [0,1,0,1,0,0|1,0,0]=3 545 B15R2.27647 Cc1c([nH]c(=O)[nH]c1=O)NC2CSC2 27a_100016994217_200009866310 [0,1,0,1,0,0|1,1,0]=4 546 B15R2.27647 O=c1[nH]c(c(c(=O)[nH]1)Cl)CN2CCC2 269982a_100000754969_200000042301 [0,1,0,1,0,0|2,0,0]=4 547 B15R2.27652 Cc1[nH]c(=O)cc(c1C)OCC2CO2 34a_200000102741_102125554688 [0,1,0,1,0,0|2,0,0]=4 548 B15R2.27652 Cc1[nH]c(=O)cc(c1C)OCC2CO2 7a_200000102741_102125554688 [0,1,0,1,0,0|2,0,0]=4 549 B15R2.27652 Cc1[nH]c(=O)cc(c1C)OC[C@@H]2CO2 7a_200000102741_100000745022 [0,1,0,1,0,0|2,0,0]=4 550 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)C#CC2CC2 271570a_200009880635_200009866310 [0,1,0,1,0,0|1,0,1]=4 551 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)C=CC2CC2 271570a_100102526188_200009866310 [0,1,0,1,0,0|1,0,1]=4 552 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)NCC2CC2 27a_100000735609_200009866310 [0,1,0,1,0,0|1,0,0]=3 553 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)SCC2CC2 62a_100000756562_200009866310 [0,1,0,1,0,0|1,0,0]=3 554 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)SCC2CO2 62a_102125554688_200009866310 [0,1,0,1,0,0|0,0,0]=2 555 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)SCC2CS2 62a_100000031435_200009866310 [0,1,0,1,0,0|0,1,0]=3 556 B15R2.27652 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_200009866310 [0,1,0,1,0,0|0,0,0]=2 557 B15R2.27652 Cc1cc(c(c(=O)[nH]1)C)OCC2CO2 34a_200000102746_102125554688 [0,1,0,1,0,0|2,0,0]=4 558 B15R2.27652 Cn1c(cc(=O)[nH]c1=O)SCC2CO2 62a_102125554688_100000093302 [0,1,0,1,0,0|2,0,0]=4 559 B15R2.27652 Cn1c(cc(=O)[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100000093302 [0,1,0,1,0,0|2,0,0]=4 560 B15R2.47131 Cc1c([nH]c(=O)[nH]c1=O)N2CC(C2)C 27a_100000702820_200009866310 [0,1,0,1,0,0|2,0,0]=4 561 B15R2.47131 Cc1c([nH]c(=O)[nH]c1=O)N2CC(C2)F 27a_100000690557_200009866310 [0,1,0,1,0,0|2,0,0]=4 562 B15R2.47131 Cc1c([nH]c(=O)[nH]c1=O)N2CC(C2)O 27a_100000749847_200009866310 [0,1,0,1,0,0|1,0,0]=3 563 B15R2.27628 C=C(c1[nH]c(=O)[nH]c(=O)c1C)C2CC2 271570a_100010895485_200009866310 [0,1,0,1,0,0|1,0,1]=4 564 B15R2.27628 Cc1c([nH]c(=O)[nH]c1=O)N(C)C2CC2 27a_100000226674_200009866310 [0,1,0,1,0,0|2,0,0]=4 565 B15R2.47135 Cc1c([nH]c(=O)[nH]c1=O)NC2(CC2)C 27a_100000757604_200009866310 [0,1,0,1,0,0|2,0,0]=4 566 B11R0.142 CNC(=O)C(=O)NCCCCO 240690a_100000750430_100011218921 [0,0,1,0,1,0|1,0,1]=4 567 B11R0.142 CNC(=O)C(=O)NCCCCO 527a_100000750430_100011218921 [0,0,1,0,1,0|1,0,1]=4 568 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,0,1,0,1,0|1,0,1]=4 569 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,0,1,0,1,0|1,0,1]=4 570 B11R0.139 CN(CCCCO)C(=O)C(=O)N 240690a_100000717598_100011215815 [0,0,1,0,1,0|1,0,1]=4 571 B11R1.465 CCCCc1c([nH][nH]c1=O)C 271570a_100020621405_100000686169 [1,0,0,0,1,0|2,0,0]=4 572 B13R0.1170 C=CC(=O)NCC(=O)NCCCCO 240690a_100000750430_200011222540 [0,0,1,0,0,1|0,0,2]=4 573 B13R0.1170 C=CC(=O)NCC(=O)NCCCCO 527a_100000750430_200011222540 [0,0,1,0,0,1|0,0,2]=4 574 B13R0.1170 CCC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000194589 [0,0,1,0,0,1|0,0,2]=4 575 B13R0.1170 CCC(=O)NCC(=O)NCCCCO 527a_100000750430_100000194589 [0,0,1,0,0,1|0,0,2]=4 576 B13R0.1170 CCC(=O)NNC(=O)NCCCCO 273464a_100000750430_100000183195 [0,0,1,0,0,1|0,0,2]=4 577 B13R0.1170 CCC(=O)NNC(=O)NCCCCO 512a_100000750430_100000183195 [0,0,1,0,0,1|0,0,2]=4 578 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 2708a_100000750430_100000693194 [0,0,1,0,0,1|1,0,1]=4 579 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 273464a_100000693194_100000750430 [0,0,1,0,0,1|1,0,1]=4 580 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 273464a_100000750430_100000693194 [0,0,1,0,0,1|1,0,1]=4 581 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 512a_100000750430_100000693194 [0,0,1,0,0,1|1,0,1]=4 582 B13R0.1170 COC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000215747 [0,0,1,0,0,1|1,0,1]=4 583 B13R0.1170 COC(=O)NCC(=O)NCCCCO 527a_100000750430_100000215747 [0,0,1,0,0,1|1,0,1]=4 584 B13R0.139 CN(CCCCO)C(=O)CNC(=O)N 240690a_100000717598_100000184981 [0,0,1,0,0,1|1,0,1]=4 585 B13R0.139 CN(CCCCO)C(=O)NCC(=O)N 273464a_100000711301_100000717598 [0,0,1,0,0,1|1,0,1]=4 586 B13R0.333 CN(CCCCO)CC(=O)NC(=O)N 2230a_100000717598_100000182717 [0,0,1,0,0,1|1,0,1]=4 587 B13R0.333 CN(CCCCO)CC(=O)NC(=O)N 269982a_100000717598_100000182717 [0,0,1,0,0,1|1,0,1]=4 588 B13R0.333 NC(=O)NC(=O)CC(=O)CCCCO 1458a_100000695505_100000182717 [0,0,1,0,0,1|1,0,1]=4 589 B13R1.1601 CCCCc1c(nc([nH]c1=O)O)C 271570a_100020621405_100000187651 [0,0,0,0,1,1|1,0,1]=4 590 B13R1.1601 Cc1nc([nH]c(=O)c1NCCO)O 27a_100000210304_100000187651 [0,0,0,0,1,1|1,0,1]=4 591 B13R1.1601 Cc1nc([nH]c(=O)c1SCCO)O 62a_100000211926_100000187651 [0,0,0,0,1,1|1,0,1]=4 592 B13R1.1601 Nc1[nH]c(=O)[nH]c(=O)c1SCCO 62a_100000211926_100009998185 [0,0,0,0,1,1|2,0,0]=4