0 B11R1.77 C=C(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.77 C=C(C)CC(=O)C1=CCOC1 1458a_100000139269_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.77 C=C(C)CC(=O)C1=COCC1 1458a_100000750620_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.77 C=C(C)CC(=O)C1CC=CC1 1458a_100000759439_100000748629 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,0,0,0,0,0|0,1,0]=1 7 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,0,0,0,0,0|1,1,0]=2 9 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,0,0,0,0,0|2,1,1]=4 12 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,0,0,0,0,0|2,1,1]=4 13 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,0,0,0,0,0|2,1,1]=4 14 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [0,0,0,0,0,0|2,1,0]=3 24 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [0,0,0,0,0,0|2,1,0]=3 25 B11R1.77 CN(C)CC(=O)c1ccsc1 2230a_100102631434_100011219462 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.77 CN(C)CC(=O)c1ccsc1 269982a_100102631434_100011219462 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,0,0,0,0,0|3,1,0]=4 28 B11R1.77 CN(C)CC(=O)n1cccn1 2230a_100102631434_100000077511 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.77 CN(C)CC(=O)n1cccn1 269982a_100102631434_100000077511 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.77 NC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000187820 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.77 NC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000187820 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.77 NC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000187820 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.77 NC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000187820 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.77 NC(=O)CC(=O)N1CC=CC1 240690a_100015195280_100134613110 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.77 O=C([O-])CC(=O)C1=CCCC1 1458a_100000038896_100020667443 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.77 O=C([O-])CC(=O)C1=CCOC1 1458a_100000139269_100020667443 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.77 O=C([O-])CC(=O)C1=COCC1 1458a_100000750620_100020667443 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.77 O=C([O-])CC(=O)C1CC=CC1 1458a_100000759439_100020667443 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [1,0,0,0,0,0|1,1,0]=3 56 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [1,0,0,0,0,0|1,1,0]=3 57 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [1,0,0,0,0,0|2,1,0]=4 60 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [1,0,0,0,0,0|2,1,0]=4 61 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [1,0,0,0,0,0|1,1,0]=3 69 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [1,0,0,0,0,0|1,1,0]=3 70 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [1,0,0,0,0,0|2,1,0]=4 73 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [1,0,0,0,0,0|2,1,0]=4 74 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [1,0,0,0,0,0|2,1,0]=4 79 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [1,0,0,0,0,0|2,1,0]=4 80 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,0,0|0,1,1]=3 88 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [1,0,0,0,0,0|1,1,1]=4 92 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,0,0|0,0,1]=2 96 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,0,0|0,1,1]=3 97 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,0,0|0,1,1]=3 98 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [1,0,0,0,0,0|1,1,1]=4 101 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [1,0,0,0,0,0|1,1,1]=4 103 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,0,0,0,0,0|1,0,1]=3 112 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,0,0,0,0,0|1,0,1]=3 114 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,0,0|1,1,1]=4 115 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,0,0|1,1,1]=4 116 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,0,0|1,1,1]=4 117 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,0,0|1,1,1]=4 118 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,0,0,0,0,0|0,0,3]=4 129 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [1,0,0,0,0,0|1,0,2]=4 130 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [1,0,0,0,0,0|1,0,2]=4 131 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [1,0,0,0,0,0|1,0,2]=4 133 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [1,0,0,0,0,0|2,1,0]=4 136 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [1,0,0,0,0,0|2,1,0]=4 137 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [1,0,0,0,0,0|2,1,0]=4 144 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [1,0,0,0,0,0|2,1,0]=4 145 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,0,0|0,1,1]=3 152 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [1,0,0,0,0,0|1,1,1]=4 156 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,0,0|1,0,1]=3 158 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,0,0|0,0,1]=2 159 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,0,0|0,1,1]=3 160 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [1,0,0,0,0,0|1,1,1]=4 163 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [1,0,0,0,0,0|1,1,1]=4 165 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.15 C#CC(=O)CC(=O)c1ccc[nH]1 1458a_100000211873_200011262396 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.15 C#CC(=O)CC(=O)c1ccco1 1458a_100000211873_100000211439 [0,1,0,0,0,0|0,0,1]=2 169 B12R1.15 C#CC(=O)CC(=O)c1cccs1 1458a_100000211873_100000211436 [0,1,0,0,0,0|0,1,1]=3 170 B12R1.15 C#CC(=O)CC(=O)c1ccsc1 1458a_100000211873_100011219462 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.15 C#CC(=O)CC(=O)c1nccs1 1458a_100000211873_100000718653 [0,1,0,0,0,0|1,1,1]=4 172 B12R1.15 C#CC(=O)CC(=O)n1cccn1 1458a_100000211873_100000077511 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.15 C=CC(=O)CC(=O)c1ccc[nH]1 1458a_100000185746_200011262396 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.15 C=CC(=O)CC(=O)c1ccco1 1458a_100000185746_100000211439 [0,1,0,0,0,0|0,0,1]=2 175 B12R1.15 C=CC(=O)CC(=O)c1cccs1 1458a_100000185746_100000211436 [0,1,0,0,0,0|0,1,1]=3 176 B12R1.15 C=CC(=O)CC(=O)c1ccsc1 1458a_100000185746_100011219462 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.15 C=CC(=O)CC(=O)c1nccs1 1458a_100000185746_100000718653 [0,1,0,0,0,0|1,1,1]=4 178 B12R1.15 C=CC(=O)CC(=O)n1cccn1 1458a_100000185746_100000077511 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.15 CCC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000747405 [0,1,0,0,0,0|1,0,2]=4 180 B12R1.15 CCC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000747405 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.15 CCC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000747405 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.15 CCC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000747405 [0,1,0,0,0,0|1,0,2]=4 183 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [0,1,0,0,0,0|1,0,0]=2 184 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [0,1,0,0,0,0|0,1,0]=2 186 B12R1.15 CCC(=O)CC(=O)c1ccsc1 1458a_100000210414_100011219462 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.15 CCC(=O)CC(=O)c1nccs1 1458a_100000210414_100000718653 [0,1,0,0,0,0|1,1,0]=3 188 B12R1.15 CCC(=O)CC(=O)n1cccn1 1458a_100000210414_100000077511 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.15 CCN(C)CC(=O)c1ccc[nH]1 269982a_100000225621_200011262396 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.15 CCN(C)CC(=O)c1ccco1 269982a_100000225621_100000211439 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.15 CCN(C)CC(=O)c1cccs1 2230a_100000225621_100000211436 [0,1,0,0,0,0|2,1,0]=4 196 B12R1.15 CCN(C)CC(=O)c1cccs1 269982a_100000225621_100000211436 [0,1,0,0,0,0|2,1,0]=4 197 B12R1.15 CNC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000183359 [0,1,0,0,0,0|1,0,2]=4 198 B12R1.15 CNC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000183359 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.15 CNC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000183359 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.15 CNC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000183359 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.15 COC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000747449 [0,1,0,0,0,0|1,0,2]=4 208 B12R1.15 COC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000747449 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.15 COC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000747449 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.15 COC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000747449 [0,1,0,0,0,0|1,0,2]=4 211 B12R1.15 COC(=O)CC(=O)N1CC=CC1 240690a_100015195280_100000211351 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,1,0,0,0,0|0,0,0]=1 216 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [0,1,0,0,0,0|0,1,0]=2 217 B12R1.15 O=C(CO)CC(=O)c1ccsc1 1458a_100000210174_100011219462 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.15 O=C(CO)CC(=O)c1nccs1 1458a_100000210174_100000718653 [0,1,0,0,0,0|1,1,0]=3 219 B12R1.15 O=C(CO)CC(=O)n1cccn1 1458a_100000210174_100000077511 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000070787_100000185163 [0,1,0,0,0,0|0,1,0]=2 221 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,1,0,0,0,0|0,1,0]=2 222 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000070787_100000185135 [0,1,0,0,0,0|0,1,0]=2 223 B12R1.103 CC(C)NC(=O)c1ccc(o1)O 271570a_203496583355_100000157565 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.103 CN(C)CC(=O)c1ccc(s1)Br 2230a_100102631434_100000185163 [0,1,0,0,0,0|2,1,0]=4 225 B12R1.103 CN(C)CC(=O)c1ccc(s1)Br 269982a_100102631434_100000185163 [0,1,0,0,0,0|2,1,0]=4 226 B12R1.103 CN(C)CC(=O)c1ccc(s1)Cl 2230a_100102631434_100000185135 [0,1,0,0,0,0|2,1,0]=4 227 B12R1.103 CN(C)CC(=O)c1ccc(s1)Cl 269982a_100102631434_100000185135 [0,1,0,0,0,0|2,1,0]=4 228 B12R1.103 Cc1ccc(s1)C(=O)CN(C)C 2230a_100102631434_100011262362 [0,1,0,0,0,0|2,1,0]=4 229 B12R1.103 Cc1ccc(s1)C(=O)CN(C)C 269982a_100102631434_100011262362 [0,1,0,0,0,0|2,1,0]=4 230 B12R1.120 CC(=O)C(C)C(=O)C1=CCCC1 1458a_100000038896_100000179758 [0,1,0,0,0,0|1,0,2]=4 231 B12R1.120 CC(=O)C(C)C(=O)C1=CCOC1 1458a_100000139269_100000179758 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.120 CC(=O)C(C)C(=O)C1=COCC1 1458a_100000750620_100000179758 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.120 CC(=O)C(C)C(=O)C1CC=CC1 1458a_100000759439_100000179758 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 1458a_100000070787_100011262360 [0,1,0,0,0,0|0,1,0]=2 235 B12R1.120 CC(=O)N(C)C(C)c1ccco1 11a_100000232712_100015343762 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.120 CC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100015343762 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.120 CC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100015343762 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.120 CC(=O)N(C)C(C)c1ccco1 527a_100000232712_100103153847 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.120 CC(C(=O)c1cccs1)N(C)C 2230a_100102631434_100011262360 [0,1,0,0,0,0|2,1,0]=4 240 B12R1.120 CC(C(=O)c1cccs1)N(C)C 269982a_100102631434_100011262360 [0,1,0,0,0,0|2,1,0]=4 241 B12R1.144 CC(=O)CC(=O)c1cccn1C 1458a_100000070787_200011262399 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.144 CC(=O)CC(=O)c1nccn1C 1458a_100000070787_100010243886 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.144 CC(=O)CC(=O)c1nonc1C 1458a_100000070787_100009816531 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.144 CC(=O)CC(=O)c1sccc1Br 1458a_100000070787_100000740827 [0,1,0,0,0,0|0,1,0]=2 245 B12R1.144 CN(C)CC(=O)c1cccn1C 2230a_100102631434_200011262399 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.144 CN(C)CC(=O)c1cccn1C 269982a_100102631434_200011262399 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.144 CN(C)CC(=O)c1sccc1Br 2230a_100102631434_100000740827 [0,1,0,0,0,0|2,1,0]=4 248 B12R1.144 CN(C)CC(=O)c1sccc1Br 269982a_100102631434_100000740827 [0,1,0,0,0,0|2,1,0]=4 249 B12R1.259 CC(=O)NS(=O)(=O)c1cccs1 2740a_100000164514_100015343762 [0,1,0,0,0,0|2,1,0]=4 250 B12R1.476 CC(=O)C=C(C#N)c1cccs1 1458a_200116348725_200000210301 [0,1,0,0,0,0|1,1,1]=4 251 B12R1.476 CCC(NC(=O)C)c1ccco1 11a_100015202707_100015343762 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.476 CCC(NC(=O)C)c1ccco1 1626a_100015202707_100015343762 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.476 CCC(NC(=O)C)c1ccco1 240690a_100015202707_100015343762 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.476 CCC(NC(=O)C)c1ccco1 527a_100015202707_100103153847 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.476 [13CH3]C(=O)C=C(C#N)c1cccs1 1458a_200116348725_200025704644 [0,1,0,0,0,0|1,1,1]=4 256 B10R0.6 C/C=C/C=CC(=O)CC(=O)N 1458a_100000185730_100000187820 [0,0,1,0,0,0|2,0,0]=3 257 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,0,1,0,0,0|2,0,0]=3 258 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,0,1,0,0,0|2,0,1]=4 259 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,0,1,0,0,0|1,0,2]=4 260 B10R0.6 C/C=C/C=CC(=O)C[N+](=O)[O-] 1458a_100000185730_100000761209 [0,0,1,0,0,0|3,0,0]=4 261 B10R0.6 C=C(C)CC(=O)C=C/C=C/C 1458a_100000185730_100000748629 [0,0,1,0,0,0|2,0,0]=3 262 B10R0.6 C=C(F)CC(=O)C=C/C=C/C 1458a_100000185730_100009893438 [0,0,1,0,0,0|2,0,1]=4 263 B12R2.6 Cc1c[nH]c(n1)c2ccco2 271570a_100000750936_100161115468 [0,0,0,1,0,0|3,0,0]=4 264 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000699828_100009814098 [0,0,0,1,0,0|1,1,1]=4 265 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000750936_100000759034 [0,0,0,1,0,0|1,1,1]=4 266 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100000750936_100015199547 [0,0,0,1,0,0|2,0,1]=4 267 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100009872134_100009814098 [0,0,0,1,0,0|2,0,1]=4 268 B12R2.6 Cc1cc(sn1)c2ccco2 271570a_100000750936_100009815735 [0,0,0,1,0,0|1,1,1]=4 269 B12R2.6 Cc1ccc(o1)c2ccco2 271570a_100000061910_100009814098 [0,0,0,1,0,0|3,0,0]=4 270 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100000750936_100000761539 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100011934456_100009814098 [0,0,0,1,0,0|3,0,0]=4 272 B12R2.6 Cc1cnc(s1)c2ccco2 271570a_100000750936_100000690809 [0,0,0,1,0,0|3,0,0]=4 273 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000038307_100009814098 [0,0,0,1,0,0|1,1,1]=4 274 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000750936_100009876951 [0,0,0,1,0,0|1,1,1]=4 275 B12R2.6 Cc1csc(n1)c2ccco2 271570a_100000750936_100011291629 [0,0,0,1,0,0|2,1,0]=4 276 B12R2.6 Cc1nc(c[nH]1)c2ccco2 271570a_100000750936_100009814057 [0,0,0,1,0,0|3,0,0]=4 277 B12R2.6 Cc1nc(cs1)c2ccco2 271570a_100000750936_100011934587 [0,0,0,1,0,0|2,1,0]=4 278 B12R2.6 Cc1nc(n[nH]1)c2ccco2 271570a_100000750936_100000732540 [0,0,0,1,0,0|3,0,0]=4 279 B12R2.6 Cc1nc(no1)c2ccco2 270196a_100000735424_100000070787 [0,0,0,1,0,0|2,0,1]=4 280 B12R2.6 Cc1nc(no1)c2ccco2 271570a_100000750936_100012003639 [0,0,0,1,0,0|2,0,1]=4 281 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000696845_100009814098 [0,0,0,1,0,0|3,0,0]=4 282 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000750936_100000764884 [0,0,0,1,0,0|3,0,0]=4 283 B12R2.6 Cc1nnc(o1)c2ccco2 271570a_100000750936_100000708914 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.6 Cc1nnc(s1)c2ccco2 271570a_100000750936_100000686958 [0,0,0,1,0,0|3,0,0]=4 285 B12R2.6 Cc1nsc(n1)c2ccco2 271570a_100000750936_100000709739 [0,0,0,1,0,0|2,1,0]=4 286 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,0|1,0,1]=3 287 B12R2.6 O=C1C=C(CC1)c2cccs2 271570a_100010737933_100011215356 [0,0,0,1,0,0|1,1,1]=4 288 B12R2.6 O=C1C=C(CC1)c2cnco2 271570a_100010737933_100020591547 [0,0,0,1,0,0|2,0,1]=4 289 B12R2.6 O=C1C=C(CC1)c2ncco2 271570a_100010737933_100011787736 [0,0,0,1,0,0|2,0,1]=4 290 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,0,0,1,0,0|1,0,2]=4 291 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,0,0,0,1,0|2,0,0]=3 292 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,0,0,0,1,0|2,1,0]=4 293 B10R1.23 CC(=C(C)c1cnco1)C 271570a_200000049429_100020591547 [0,0,0,0,1,0|3,0,0]=4 294 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,0,0,0,1,0|3,0,0]=4 295 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748629 [0,0,0,0,0,1|2,0,1]=4 296 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,0,0,0,0,1|2,0,1]=4 297 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,0,0,0,0,1|2,0,1]=4 298 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,0,0,0,0,1|0,1,0]=2 299 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,0,0,0,0,1|0,0,0]=1 300 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,0,0,0,0,1|0,1,0]=2 301 B12R1.54 CC(=O)NCC(=O)N1CC=CC1 1626a_100015195280_100000194580 [0,0,0,0,0,1|2,0,1]=4 302 B12R1.54 CC(=O)NCC(=O)N1CC=CC1 240690a_100015195280_100000194580 [0,0,0,0,0,1|2,0,1]=4 303 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,0,0,0,0,1|0,0,2]=3 304 B12R1.54 CC(=O)NN=C(C)c1ccc[nH]1 4a_100000189765_100000183661 [0,0,0,0,0,1|3,0,0]=4 305 B12R1.54 CC(=O)NN=C(C)c1ccco1 4a_100000189765_100000210965 [0,0,0,0,0,1|2,0,0]=3 306 B12R1.54 CC(=O)NN=C(C)c1cccs1 4a_100000189765_100000185736 [0,0,0,0,0,1|2,1,0]=4 307 B12R1.54 CC(=O)NN=C(C)c1ccno1 4a_100000189765_100009863766 [0,0,0,0,0,1|3,0,0]=4 308 B12R1.54 CC(=O)NNC(=O)c1cc[nH]n1 22a_100011273208_100000070787 [0,0,0,0,0,1|3,0,0]=4 309 B12R1.54 CC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000070787 [0,0,0,0,0,1|2,0,0]=3 310 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,0,0,0,0,1|1,0,0]=2 311 B12R1.54 CC(=O)NNC(=O)c1cccs1 22a_100000184746_100000070787 [0,0,0,0,0,1|1,1,0]=3 312 B12R1.54 CC(=O)NNC(=O)c1ccoc1 22a_100000233958_100000070787 [0,0,0,0,0,1|3,0,0]=4 313 B12R1.54 CC(=O)NNC(=O)c1ccsc1 22a_100000193922_100000070787 [0,0,0,0,0,1|3,0,0]=4 314 B12R1.54 CC(=O)NNC(=O)c1cncs1 22a_200000241815_100000070787 [0,0,0,0,0,1|2,1,0]=4 315 B12R1.54 CC(=O)NNC(=O)c1cscn1 22a_100011794543_100000070787 [0,0,0,0,0,1|3,0,0]=4 316 B12R1.54 CC(=O)NNC(=O)c1nccs1 22a_100000077877_100000070787 [0,0,0,0,0,1|2,1,0]=4 317 B12R1.54 CC(=O)OCC(=O)N1CC=CC1 1626a_100015195280_100000183556 [0,0,0,0,0,1|2,0,1]=4 318 B12R1.54 CC(=O)OCC(=O)N1CC=CC1 240690a_100015195280_100000183556 [0,0,0,0,0,1|2,0,1]=4 319 B12R1.54 CC(=O)SCC(=O)N1CC=CC1 1626a_100015195280_100000049016 [0,0,0,0,0,1|2,0,1]=4 320 B12R1.54 CC(=O)SCC(=O)N1CC=CC1 240690a_100015195280_100000049016 [0,0,0,0,0,1|2,0,1]=4 321 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [0,0,0,0,0,1|1,1,1]=4 322 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [0,0,0,0,0,1|2,0,1]=4 323 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [0,0,0,0,0,1|2,0,1]=4 324 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,0,0,0,0,1|1,0,1]=3 325 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,0,0,0,0,1|1,0,1]=3 326 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [0,0,0,0,0,1|1,1,1]=4 327 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [0,0,0,0,0,1|1,1,1]=4 328 B12R1.54 CN(C)CCC(=O)c1cccs1 2230a_100102631434_100011290775 [0,0,0,0,0,1|2,1,0]=4 329 B12R1.54 CN(C)CCC(=O)c1cccs1 269982a_100102631434_100011290775 [0,0,0,0,0,1|2,1,0]=4 330 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 2230a_100160469435_100000747473 [0,0,0,0,0,1|2,0,1]=4 331 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,0,0,0,0,1|2,0,1]=4 332 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,0,0,0,0,1|2,0,1]=4 333 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,0,0,0,0,1|0,0,0]=1 335 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,0,0,0,0,1|0,1,0]=2 336 B12R1.107 C=C(C)CC(=O)C1=CCCCO1 1458a_100000764163_100000748629 [0,0,0,0,0,1|1,0,2]=4 337 B12R1.107 C=C(C)CC(=O)C1=COCCO1 1458a_100000008702_100000748629 [0,0,0,0,0,1|1,0,2]=4 338 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,0,0,0,1|2,0,0]=3 339 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,0,0,0,0,1|2,0,1]=4 340 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,0,0,0,1|2,0,1]=4 341 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,0,0,0,1|2,0,1]=4 342 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,0,1|1,0,0]=2 343 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,0,0,0,0,1|1,0,0]=2 344 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,0,0,0,0,1|1,0,0]=2 345 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,0,0,0,1|1,0,0]=2 346 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,0,0,0,0,1|1,0,0]=2 347 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,0,1|2,0,1]=4 348 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,0,1|2,0,1]=4 349 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,0,1|1,0,2]=4 350 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,0,1|1,0,2]=4 351 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,0,0,0,1|3,0,0]=4 352 B12R1.107 CC(=O)CN(C)c1ncccn1 1458a_200000737684_200000210301 [0,0,0,0,0,1|3,0,0]=4 353 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,0,1|1,0,2]=4 354 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,0,1|2,0,1]=4 356 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,0,0,0,1|1,0,2]=4 357 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,0,0,0,0,1|3,0,0]=4 358 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,0,0,0,0,1|3,0,0]=4 359 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,0,0,0,0,1|3,0,0]=4 360 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,0,0,0,0,1|3,0,0]=4 361 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.107 CN(CC(=O)[13CH3])c1ncccn1 1458a_200000737684_200025704644 [0,0,0,0,0,1|3,0,0]=4 363 B12R1.107 NC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000187820 [0,0,0,0,0,1|1,0,2]=4 364 B12R1.107 NC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000187820 [0,0,0,0,0,1|1,0,2]=4 365 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,0,1|2,0,0]=3 366 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,0,0,0,0,1|3,0,0]=4 367 B12R1.107 O=C([O-])CC(=O)C1=CCCCO1 1458a_100000764163_100020667443 [0,0,0,0,0,1|1,0,2]=4 368 B12R1.107 O=C([O-])CC(=O)C1=COCCO1 1458a_100000008702_100020667443 [0,0,0,0,0,1|1,0,2]=4 369 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,0,1|2,0,0]=3 370 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,0,1|1,0,2]=4 371 B12R1.260 C=C(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000748629 [0,0,0,0,0,1|3,0,0]=4 372 B12R1.260 C=C(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748629 [0,0,0,0,0,1|2,0,0]=3 373 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,0,0,0,0,1|1,0,0]=2 374 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,0,0,0,0,1|1,1,0]=3 375 B12R1.260 C=C(C)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000748629 [0,0,0,0,0,1|3,0,0]=4 376 B12R1.260 C=C(C)CC(=O)Cc1ccoc1 1458a_100000684892_100000748629 [0,0,0,0,0,1|3,0,0]=4 377 B12R1.260 C=C(C)CC(=O)Cc1ccsc1 1458a_100000184062_100000748629 [0,0,0,0,0,1|3,0,0]=4 378 B12R1.260 C=C(C)CC(=O)Cc1cscn1 1458a_100011438297_100000748629 [0,0,0,0,0,1|3,0,0]=4 379 B12R1.260 C=C(C)CC(=O)Cn1cccc1 1458a_100011196272_100000748629 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.260 C=C(C)CC(=O)Cn1cccn1 1458a_100000233772_100000748629 [0,0,0,0,0,1|3,0,0]=4 381 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,0,0,0,0,1|3,0,0]=4 382 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,0,0,0,0,1|3,0,0]=4 383 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,0,0,0,0,1|3,0,0]=4 384 B12R1.260 C=C(F)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100009893438 [0,0,0,0,0,1|2,0,1]=4 385 B12R1.260 C=C(F)CC(=O)Cc1ccco1 1458a_100011217309_100009893438 [0,0,0,0,0,1|1,0,1]=3 386 B12R1.260 C=C(F)CC(=O)Cc1cccs1 1458a_100000210189_100009893438 [0,0,0,0,0,1|1,1,1]=4 387 B12R1.260 CC(=CC(=O)Cc1ncco1)C 1458a_100000211388_103436540062 [0,0,0,0,0,1|2,0,1]=4 388 B12R1.260 CC(=CC(=O)Cc1ncco1)Cl 1458a_200042562850_103436540062 [0,0,0,0,0,1|2,0,1]=4 389 B12R1.260 CC(=CC(=O)Cc1ncco1)I 1458a_100025716642_103436540062 [0,0,0,0,0,1|2,0,1]=4 390 B12R1.260 CC(=O)CC(=O)Nc1ccon1 1458a_100000070787_100000239699 [0,0,0,0,0,1|2,0,0]=3 391 B12R1.260 CC(=O)CC(=O)Nc1nccs1 1458a_100000070787_100000183294 [0,0,0,0,0,1|1,1,0]=3 392 B12R1.260 CC(=O)CC(=O)Nc1nncs1 1458a_100000070787_100000184940 [0,0,0,0,0,1|2,1,0]=4 393 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,0,0,0,0,1|2,0,1]=4 394 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,0,0,0,0,1|2,0,1]=4 395 B12R1.260 CC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210624 [0,0,0,0,0,1|2,0,1]=4 396 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,0,0,0,0,1|1,0,1]=3 397 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,0,0,0,0,1|1,1,1]=4 398 B12R1.260 CC(C)CC(=O)Cc1ncco1 1458a_100000210554_103436540062 [0,0,0,0,0,1|2,0,1]=4 399 B12R1.260 CC(C)NC(=O)Cc1ccco1 11a_100138425928_100011217309 [0,0,0,0,0,1|2,0,1]=4 400 B12R1.260 CC(C)NC(=O)Cc1ccco1 527a_100138425928_100011217309 [0,0,0,0,0,1|2,0,1]=4 401 B12R1.260 CC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218427 [0,0,0,0,0,1|1,0,2]=4 402 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,0,0,0,0,1|0,0,2]=3 403 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,0,0,0,0,1|0,1,2]=4 404 B12R1.260 CN(C)CC(=O)Cc1ncco1 1458a_100000750896_103436540062 [0,0,0,0,0,1|3,0,0]=4 405 B12R1.260 CN(CC(=O)N)Cc1ccco1 2230a_100000185268_100000747473 [0,0,0,0,0,1|3,0,0]=4 406 B12R1.260 CN(CC(=O)N)Cc1ccco1 269982a_100000185268_100000187820 [0,0,0,0,0,1|3,0,0]=4 407 B12R1.260 CN(CC(=O)N)Cc1ccco1 270004a_100000739694_100000186105 [0,0,0,0,0,1|3,0,0]=4 408 B12R1.260 CN(CC(=O)[O-])Cc1ccco1 269982a_100000185268_100020667443 [0,0,0,0,0,1|3,0,0]=4 409 B12R1.260 C[C@@H](O)CC(=O)Cc1ncco1 1458a_100011933948_103436540062 [0,0,0,0,0,1|1,0,2]=4 410 B12R1.260 C[S+](C)CC(=O)Cc1ncco1 1458a_200159257847_103436540062 [0,0,0,0,0,1|3,0,0]=4 411 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000187820 [0,0,0,0,0,1|3,0,0]=4 412 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100134613110_100000707719 [0,0,0,0,0,1|3,0,0]=4 413 B12R1.260 NC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000187820 [0,0,0,0,0,1|2,0,0]=3 414 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,0,0,0,0,1|1,0,0]=2 415 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,0,0,0,0,1|1,1,0]=3 416 B12R1.260 NC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000187820 [0,0,0,0,0,1|3,0,0]=4 417 B12R1.260 NC(=O)CC(=O)Cc1ccn[nH]1 1458a_100134613110_100000728653 [0,0,0,0,0,1|3,0,0]=4 418 B12R1.260 NC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000187820 [0,0,0,0,0,1|3,0,0]=4 419 B12R1.260 NC(=O)CC(=O)Cc1ccon1 1458a_100134613110_100000234950 [0,0,0,0,0,1|3,0,0]=4 420 B12R1.260 NC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000187820 [0,0,0,0,0,1|3,0,0]=4 421 B12R1.260 NC(=O)CC(=O)Cc1ccsc1 1458a_100134613110_100011233845 [0,0,0,0,0,1|3,0,0]=4 422 B12R1.260 NC(=O)CC(=O)Cc1cncs1 1458a_100134613110_100015185245 [0,0,0,0,0,1|2,1,0]=4 423 B12R1.260 NC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000187820 [0,0,0,0,0,1|3,0,0]=4 424 B12R1.260 NC(=O)CC(=O)Cc1cscn1 1458a_100134613110_100000205941 [0,0,0,0,0,1|3,0,0]=4 425 B12R1.260 NC(=O)CC(=O)Cc1ncco1 1458a_100134613110_103436540062 [0,0,0,0,0,1|2,0,0]=3 426 B12R1.260 NC(=O)CC(=O)Cc1nccs1 1458a_100134613110_100015184050 [0,0,0,0,0,1|2,1,0]=4 427 B12R1.260 NC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000187820 [0,0,0,0,0,1|3,0,0]=4 428 B12R1.260 NC(=O)CC(=O)Cn1cccn1 1458a_100000233772_100000187820 [0,0,0,0,0,1|3,0,0]=4 429 B12R1.260 O=C(Cc1ccc[nH]1)C[N+](=O)[O-] 1458a_100000238377_100000761209 [0,0,0,0,0,1|3,0,0]=4 430 B12R1.260 O=C(Cc1ccco1)CC(F)F 1458a_100011217309_100011934356 [0,0,0,0,0,1|2,0,1]=4 431 B12R1.260 O=C(Cc1ccco1)C[N+](=O)[O-] 1458a_100011217309_100000761209 [0,0,0,0,0,1|2,0,0]=3 432 B12R1.260 O=C(Cc1cccs1)C[N+](=O)[O-] 1458a_100000210189_100000761209 [0,0,0,0,0,1|2,1,0]=4 433 B12R1.260 O=C([O-])CC(=O)Cc1c[nH]cn1 1458a_100015291406_100020667443 [0,0,0,0,0,1|3,0,0]=4 434 B12R1.260 O=C([O-])CC(=O)Cc1ccc[nH]1 1458a_100000238377_100020667443 [0,0,0,0,0,1|2,0,0]=3 435 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,0,0,0,0,1|1,0,0]=2 436 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,0,0,0,0,1|1,1,0]=3 437 B12R1.260 O=C([O-])CC(=O)Cc1ccn[nH]1 1458a_100000752941_100020667443 [0,0,0,0,0,1|3,0,0]=4 438 B12R1.260 O=C([O-])CC(=O)Cc1ccoc1 1458a_100000684892_100020667443 [0,0,0,0,0,1|3,0,0]=4 439 B12R1.260 O=C([O-])CC(=O)Cc1ccsc1 1458a_100000184062_100020667443 [0,0,0,0,0,1|3,0,0]=4 440 B12R1.260 O=C([O-])CC(=O)Cc1cscn1 1458a_100011438297_100020667443 [0,0,0,0,0,1|3,0,0]=4 441 B12R1.260 O=C([O-])CC(=O)Cn1cccc1 1458a_100011196272_100020667443 [0,0,0,0,0,1|3,0,0]=4 442 B12R1.260 O=C([O-])CC(=O)Cn1cccn1 1458a_100000233772_100020667443 [0,0,0,0,0,1|3,0,0]=4 443 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [1,0,1,0,0,0|1,0,0]=3 444 B9R0.4 C=CC=CC(=O)CC(=C)F 1458a_100016291481_100009893438 [1,0,1,0,0,0|1,0,1]=4 445 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|1,0,0]=3 446 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [1,0,1,0,0,0|1,0,0]=3 447 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|1,0,1]=4 448 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [1,0,1,0,0,0|0,0,2]=4 449 B9R0.4 C=CC=CC(=O)C[N+](=O)[O-] 1458a_100016291481_100000761209 [1,0,1,0,0,0|2,0,0]=4 450 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [1,0,1,0,0,0|1,0,1]=4 451 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [1,0,1,0,0,0|0,0,1]=3 452 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,0,1,0,0,0|1,0,1]=4 453 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [1,0,1,0,0,0|1,0,1]=4 454 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [2,0,0,0,0,0|1,0,1]=4 455 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [2,0,0,0,0,0|1,0,1]=4 456 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|0,0,2]=4 457 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [2,0,0,0,0,0|1,0,1]=4 458 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [2,0,0,0,0,0|1,0,1]=4 459 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|1,0,1]=4 460 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [2,0,0,0,0,0|1,0,0]=3 466 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [2,0,0,0,0,0|1,0,0]=3 467 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [2,0,0,0,0,0|1,1,0]=4 468 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [2,0,0,0,0,0|1,1,0]=4 469 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|1,0,1]=4 474 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|1,0,1]=4 475 B11R0.107 C=C(C)CC(=O)C=CC(=CC)C 1458a_100000692105_100000748629 [0,1,1,0,0,0|2,0,0]=4 476 B11R0.107 CC=C(C)C=CC(=O)CC(=O)N 1458a_100000692105_100000187820 [0,1,1,0,0,0|2,0,0]=4 477 B11R0.107 CC=C(C)C=CC(=O)CC(=O)[O-] 1458a_100000692105_100020667443 [0,1,1,0,0,0|2,0,0]=4 478 B11R0.139 C/C=C/C=CC(=O)C(C)C(=O)C 1458a_100000185730_100000179758 [0,1,1,0,0,0|1,0,0]=3 479 B11R0.139 C/C=C/C=CC(=O)C(C)C(=O)N 1458a_100000185730_100000702099 [0,1,1,0,0,0|2,0,0]=4 480 B11R0.139 C/C=C/C=CC(=O)C(F)C(=O)N 1458a_100000185730_100009813875 [0,1,1,0,0,0|2,0,0]=4 481 B11R0.139 C/C=C/C=CC(=O)C(F)C(=O)[O-] 1458a_100000185730_100020610796 [0,1,1,0,0,0|2,0,0]=4 482 B11R0.154 C/C=C/C=CC(=O)CC(=O)CC 1458a_100000185730_100000747405 [0,1,1,0,0,0|1,0,0]=3 483 B11R0.154 C/C=C/C=CC(=O)CC(=O)NC 1458a_100000185730_100000183359 [0,1,1,0,0,0|1,0,0]=3 484 B11R0.154 C/C=C/C=CC(=O)CC(=O)OC 1458a_100000185730_100000747449 [0,1,1,0,0,0|1,0,0]=3 485 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [1,1,0,0,0,0|1,1,0]=4 487 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [1,1,0,0,0,0|1,1,0]=4 488 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [1,1,0,0,0,0|1,1,0]=4 489 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [1,1,0,0,0,0|1,1,0]=4 490 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [1,1,0,0,0,0|1,1,0]=4 491 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [1,1,0,0,0,0|1,1,0]=4 492 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [1,1,0,0,0,0|1,1,0]=4 493 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [1,1,0,0,0,0|1,1,0]=4 494 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [1,1,0,0,0,0|1,1,0]=4 495 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [1,1,0,0,0,0|1,1,0]=4 496 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [1,1,0,0,0,0|1,1,0]=4 497 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [1,1,0,0,0,0|1,1,0]=4 498 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [1,1,0,0,0,0|1,1,0]=4 499 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [1,1,0,0,0,0|1,1,0]=4 500 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [1,1,0,0,0,0|1,1,0]=4 501 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [1,1,0,0,0,0|1,1,0]=4 502 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [1,1,0,0,0,0|1,1,0]=4 503 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [1,1,0,0,0,0|1,1,0]=4 504 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [1,1,0,0,0,0|1,1,0]=4 507 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [1,1,0,0,0,0|0,1,1]=4 509 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [1,1,0,0,0,0|0,0,1]=3 512 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [1,1,0,0,0,0|0,0,1]=3 513 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [1,1,0,0,0,0|0,1,1]=4 514 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [1,1,0,0,0,0|0,1,1]=4 515 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [1,1,0,0,0,0|0,1,1]=4 516 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [1,1,0,0,0,0|0,1,1]=4 517 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [1,1,0,0,0,0|0,1,1]=4 518 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [1,1,0,0,0,0|0,1,1]=4 519 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [1,1,0,0,0,0|1,1,0]=4 527 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [1,1,0,0,0,0|1,1,0]=4 528 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [1,1,0,0,0,0|0,1,1]=4 529 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [1,1,0,0,0,0|0,1,1]=4 530 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_100011262360_200025704644 [1,1,0,0,0,0|1,1,0]=4 531 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_200025704644_100011262360 [1,1,0,0,0,0|1,1,0]=4 532 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [1,1,0,0,0,0|1,1,0]=4 533 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [1,1,0,0,0,0|1,1,0]=4 534 B11R1.31 CSC(C)C(=O)c1cccs1 62a_100011262360_200000210301 [1,1,0,0,0,0|1,1,0]=4 535 B11R1.31 CSC(C)C(=O)c1cccs1 62a_200000210301_100011262360 [1,1,0,0,0,0|1,1,0]=4 536 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [1,1,0,0,0,0|1,1,0]=4 540 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [1,1,0,0,0,0|1,1,0]=4 541 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [1,1,0,0,0,0|1,1,0]=4 542 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [1,1,0,0,0,0|1,1,0]=4 544 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [1,1,0,0,0,0|1,1,0]=4 547 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [1,1,0,0,0,0|1,1,0]=4 550 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [1,1,0,0,0,0|0,1,1]=4 551 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,1,0,0,0,0|0,0,1]=3 553 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [1,1,0,0,0,0|0,1,1]=4 554 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [1,1,0,0,0,0|0,1,1]=4 555 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [1,1,0,0,0,0|1,1,0]=4 558 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [1,1,0,0,0,0|1,1,0]=4 559 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [1,1,0,0,0,0|1,0,1]=4 565 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [1,1,0,0,0,0|0,1,1]=4 568 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [1,1,0,0,0,0|0,1,1]=4 569 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [1,1,0,0,0,0|0,1,1]=4 570 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [1,1,0,0,0,0|0,0,1]=3 574 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [1,1,0,0,0,0|0,0,1]=3 575 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [1,1,0,0,0,0|0,0,1]=3 576 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [1,1,0,0,0,0|0,1,1]=4 577 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [1,1,0,0,0,0|0,1,1]=4 578 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [1,1,0,0,0,0|0,1,1]=4 579 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [1,1,0,0,0,0|0,1,1]=4 580 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [1,1,0,0,0,0|1,1,0]=4 583 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [1,1,0,0,0,0|1,1,0]=4 584 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [1,1,0,0,0,0|1,1,0]=4 596 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [1,1,0,0,0,0|1,1,0]=4 597 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [1,1,0,0,0,0|0,1,1]=4 602 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [1,1,0,0,0,0|0,0,1]=3 604 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [1,1,0,0,0,0|0,1,1]=4 605 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,1,0,0,0,0|0,1,1]=4 606 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [1,1,0,0,0,0|1,0,1]=4 607 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [1,1,0,0,0,0|0,0,1]=3 609 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [1,1,0,0,0,0|0,0,1]=3 610 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [1,1,0,0,0,0|1,1,0]=4 613 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [1,1,0,0,0,0|1,1,0]=4 614 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [1,1,0,0,0,0|1,0,1]=4 619 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [1,1,0,0,0,0|0,1,1]=4 628 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [1,1,0,0,0,0|0,0,1]=3 629 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [1,1,0,0,0,0|0,0,1]=3 630 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [1,1,0,0,0,0|0,0,1]=3 631 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [1,1,0,0,0,0|0,1,1]=4 632 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [1,1,0,0,0,0|0,1,1]=4 633 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [1,1,0,0,0,0|0,1,1]=4 634 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [1,1,0,0,0,0|1,0,1]=4 635 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [1,1,0,0,0,0|1,0,1]=4 636 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [1,1,0,0,0,0|0,0,1]=3 644 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [1,1,0,0,0,0|0,1,1]=4 645 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [1,1,0,0,0,0|0,1,1]=4 646 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [1,1,0,0,0,0|0,0,1]=3 647 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [1,1,0,0,0,0|0,0,1]=3 648 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [1,1,0,0,0,0|0,1,1]=4 649 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [1,1,0,0,0,0|0,1,1]=4 650 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [1,1,0,0,0,0|0,1,1]=4 652 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [1,1,0,0,0,0|0,1,1]=4 653 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200000210301 [0,1,0,0,0,1|0,0,0]=2 654 B13R1.129 CC(=O)CNC(=O)c1ccc(s1)Br 1458a_100000194672_200000210301 [0,1,0,0,0,1|0,1,0]=3 655 B13R1.129 CC(=O)CNC(=O)c1ccc(s1)C 1458a_100000183417_200000210301 [0,1,0,0,0,1|0,1,0]=3 656 B13R1.129 CC(=O)NN=C(C)c1ccc(o1)Br 4a_100000189765_100000229899 [0,1,0,0,0,1|2,0,0]=4 657 B13R1.129 CC(=O)NN=C(C)c1ccc(o1)C 4a_100000189765_100000204583 [0,1,0,0,0,1|2,0,0]=4 658 B13R1.129 CC(=O)NNC(=O)c1cc(c[nH]1)Br 22a_100000704317_100000070787 [0,1,0,0,0,1|2,0,0]=4 659 B13R1.129 CC(=O)NNC(=O)c1cc(cs1)C 22a_100000143654_100000070787 [0,1,0,0,0,1|1,1,0]=4 660 B13R1.129 CC(=O)NNC(=O)c1ccc(o1)Br 22a_100000186364_100000070787 [0,1,0,0,0,1|1,0,0]=3 661 B13R1.129 CC(=O)NNC(=O)c1ccc(o1)C 22a_100000189940_100000070787 [0,1,0,0,0,1|1,0,0]=3 662 B13R1.129 CC(=O)NNC(=O)c1ccc(s1)Br 22a_100000180196_100000070787 [0,1,0,0,0,1|1,1,0]=4 663 B13R1.129 CC(=O)NNC(=O)c1ccc(s1)C 22a_100000189777_100000070787 [0,1,0,0,0,1|1,1,0]=4 664 B13R1.129 CC(=O)NNC(=O)c1ccc(s1)Cl 22a_100000189877_100000070787 [0,1,0,0,0,1|1,1,0]=4 665 B13R1.129 CC(C)CNC(=O)c1ccc(o1)O 271570a_203496583355_100000160793 [0,1,0,0,0,1|1,0,1]=4 666 B13R1.129 Cc1ccc(s1)C(=O)NCC(=O)[13CH3] 1458a_100000183417_200025704644 [0,1,0,0,0,1|0,1,0]=3 667 B13R1.129 [13CH3]C(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200025704644 [0,1,0,0,0,1|0,0,0]=2 668 B13R1.129 [13CH3]C(=O)CNC(=O)c1ccc(s1)Br 1458a_100000194672_200025704644 [0,1,0,0,0,1|0,1,0]=3 669 B13R1.162 C#CC(=NNC(=O)c1ccco1)C 4a_100000185077_100000690481 [0,1,0,0,0,1|2,0,0]=4 670 B13R1.162 C#CC(=O)CCC(=O)c1cccs1 1458a_100000211873_100011290775 [0,1,0,0,0,1|0,1,1]=4 671 B13R1.162 C#CC(C)SCC(=O)c1ccco1 62a_200000035995_100000211439 [0,1,0,0,0,1|1,0,1]=4 672 B13R1.162 C#C[C@@H](C)OCC(=O)c1ccco1 7a_100009815206_100000211439 [0,1,0,0,0,1|1,0,1]=4 673 B13R1.162 C=CC(=NNC(=O)c1ccco1)C 4a_100000185077_200015361842 [0,1,0,0,0,1|2,0,0]=4 674 B13R1.162 C=CC(=O)CCC(=O)c1cccs1 1458a_100000185746_100011290775 [0,1,0,0,0,1|0,1,1]=4 675 B13R1.162 C=CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000185746 [0,1,0,0,0,1|1,0,1]=4 676 B13R1.162 C=CC(C)SCC(=O)c1ccco1 62a_100011215867_100000211439 [0,1,0,0,0,1|1,0,1]=4 677 B13R1.162 CC(=NNC(=O)c1ccco1)CF 4a_100000185077_100000039719 [0,1,0,0,0,1|2,0,0]=4 678 B13R1.162 CC(=NNC(=O)c1ccco1)CO 4a_100000185077_100000211253 [0,1,0,0,0,1|1,0,1]=4 679 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000211439_100000703298 [0,1,0,0,0,1|1,0,1]=4 680 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000703298_100000211439 [0,1,0,0,0,1|1,0,1]=4 681 B13R1.162 CC(CF)OCC(=O)c1ccco1 7a_100016041109_100000211439 [0,1,0,0,0,1|1,0,1]=4 682 B13R1.162 CC(CO)SCC(=O)c1ccco1 62a_100012180447_100000211439 [0,1,0,0,0,1|0,0,2]=4 683 B13R1.162 CCC(=O)CCC(=O)c1cccs1 1458a_100000210414_100011290775 [0,1,0,0,0,1|0,1,0]=3 684 B13R1.162 CCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210202 [0,1,0,0,0,1|0,0,0]=2 685 B13R1.162 CCC(=O)CNC(=O)c1cccs1 1458a_100000183069_100000210202 [0,1,0,0,0,1|0,1,0]=3 686 B13R1.162 CCC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747405 [0,1,0,0,0,1|1,0,1]=4 687 B13R1.162 CCC(=O)NCC(O)c1ccco1 527a_100000738650_100000210414 [0,1,0,0,0,1|0,0,2]=4 688 B13R1.162 CCC(=O)NN=C(C)c1ccco1 4a_100000183195_100000210965 [0,1,0,0,0,1|2,0,0]=4 689 B13R1.162 CCC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000210414 [0,1,0,0,0,1|2,0,0]=4 690 B13R1.162 CCC(=O)NNC(=O)c1ccco1 22a_100000185077_100000210414 [0,1,0,0,0,1|1,0,0]=3 691 B13R1.162 CCC(=O)NNC(=O)c1cccs1 22a_100000184746_100000210414 [0,1,0,0,0,1|1,1,0]=4 692 B13R1.162 CCC(C)OCC(=O)c1ccco1 7a_100000210228_100000211439 [0,1,0,0,0,1|1,0,1]=4 693 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000211439_100000758301 [0,1,0,0,0,1|1,0,1]=4 694 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000758301_100000211439 [0,1,0,0,0,1|1,0,1]=4 695 B13R1.162 CNC(=O)CNC(=O)c1ccco1 11a_106832991635_200000183647 [0,1,0,0,0,1|0,0,0]=2 696 B13R1.162 CNC(=O)CNC(=O)c1ccco1 240690a_100102657272_200000183647 [0,1,0,0,0,1|0,0,0]=2 697 B13R1.162 CNC(=O)CNC(=O)c1ccco1 527a_100102657272_200000183647 [0,1,0,0,0,1|0,0,0]=2 698 B13R1.162 CNC(=O)CNC(=O)c1cccs1 11a_106832991635_100000183069 [0,1,0,0,0,1|0,1,0]=3 699 B13R1.162 CNC(=O)CNC(=O)c1cccs1 1626a_100102657272_100000183069 [0,1,0,0,0,1|0,1,0]=3 700 B13R1.162 CNC(=O)CNC(=O)c1cccs1 240690a_100102657272_100000183069 [0,1,0,0,0,1|0,1,0]=3 701 B13R1.162 CNC(=O)CNC(=O)c1cccs1 527a_100102657272_100000183069 [0,1,0,0,0,1|0,1,0]=3 702 B13R1.162 CNC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000183359 [0,1,0,0,0,1|1,0,1]=4 703 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000183359 [0,1,0,0,0,1|1,0,1]=4 704 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000183359 [0,1,0,0,0,1|1,0,1]=4 705 B13R1.162 CNC(=O)NCC(O)c1ccco1 2708a_100102657272_100000738650 [0,1,0,0,0,1|0,0,2]=4 706 B13R1.162 CNC(=O)NCC(O)c1ccco1 273464a_100102657272_100000738650 [0,1,0,0,0,1|0,0,2]=4 707 B13R1.162 CNC(=O)NCC(O)c1ccco1 512a_106832991638_100000738650 [0,1,0,0,0,1|0,0,2]=4 708 B13R1.162 CNC(=O)NNC(=O)c1ccc[nH]1 273464a_100102657272_100000018271 [0,1,0,0,0,1|2,0,0]=4 709 B13R1.162 CNC(=O)NNC(=O)c1ccco1 273464a_100102657272_100000185077 [0,1,0,0,0,1|1,0,0]=3 710 B13R1.162 CNC(=O)NNC(=O)c1ccco1 512a_100000185077_100102657272 [0,1,0,0,0,1|1,0,0]=3 711 B13R1.162 CNC(=O)NNC(=O)c1cccs1 273464a_100102657272_100000184746 [0,1,0,0,0,1|1,1,0]=4 712 B13R1.162 CNC(=O)NNC(=O)c1cccs1 512a_100000184746_100102657272 [0,1,0,0,0,1|1,1,0]=4 713 B13R1.162 CNC(=O)NNC(=O)c1cccs1 512a_106832991638_100000184746 [0,1,0,0,0,1|1,1,0]=4 714 B13R1.162 CNC(=O)NNC(=O)c1cnco1 273464a_100102657272_100000081316 [0,1,0,0,0,1|2,0,0]=4 715 B13R1.162 CNC(=O)NNC(=O)c1cnco1 512a_100000081316_100102657272 [0,1,0,0,0,1|2,0,0]=4 716 B13R1.162 CNC(=O)NNC(=O)c1cnco1 512a_106832991638_100000081316 [0,1,0,0,0,1|2,0,0]=4 717 B13R1.162 COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747449 [0,1,0,0,0,1|1,0,1]=4 718 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000747449 [0,1,0,0,0,1|1,0,1]=4 719 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747449 [0,1,0,0,0,1|1,0,1]=4 720 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100000211439_100009879195 [0,1,0,0,0,1|0,0,2]=4 721 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100009879195_100000211439 [0,1,0,0,0,1|0,0,2]=4 722 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100000211439_100016084084 [0,1,0,0,0,1|0,0,2]=4 723 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100016084084_100000211439 [0,1,0,0,0,1|0,0,2]=4 724 B13R1.162 O=C(CF)CNC(=O)c1ccco1 1458a_200000183647_100015361967 [0,1,0,0,0,1|0,0,0]=2 725 B13R1.162 O=C(CF)CNC(=O)c1cccs1 1458a_100000183069_100015361967 [0,1,0,0,0,1|0,1,0]=3 726 B13R1.162 O=C(CO)CCC(=O)c1cccs1 1458a_100000210174_100011290775 [0,1,0,0,0,1|0,1,0]=3 727 B13R1.162 O=C(CO)NCC(O)c1ccco1 527a_100000738650_100000210174 [0,1,0,0,0,1|0,0,2]=4 728 B13R1.162 O=C(CO)NNC(=O)c1ccc[nH]1 22a_100000018271_100000210174 [0,1,0,0,0,1|2,0,0]=4 729 B13R1.162 O=C(CO)NNC(=O)c1ccco1 22a_100000185077_100000210174 [0,1,0,0,0,1|1,0,0]=3 730 B13R1.162 O=C(CO)NNC(=O)c1cccs1 22a_100000184746_100000210174 [0,1,0,0,0,1|1,1,0]=4 731 B13R1.168 CC(=O)NNC(=O)c1cccn1C 22a_100000189942_100000070787 [0,1,0,0,0,1|2,0,0]=4 732 B13R1.168 CC(=O)NNC(=O)c1sccc1C 22a_100000189776_100000070787 [0,1,0,0,0,1|1,1,0]=4 733 B13R1.168 CC(=O)NNC(=O)c1sccc1Cl 22a_100012021866_100000070787 [0,1,0,0,0,1|1,1,0]=4 734 B13R1.339 C=C(C)C(=O)CC(=O)c1ccc[nH]1 1458a_100000185857_200011262396 [0,1,0,0,0,1|2,0,0]=4 735 B13R1.339 C=C(C)C(=O)CC(=O)c1ccco1 1458a_100000185857_100000211439 [0,1,0,0,0,1|1,0,0]=3 736 B13R1.339 C=C(C)C(=O)CC(=O)c1cccs1 1458a_100000185857_100000211436 [0,1,0,0,0,1|1,1,0]=4 737 B13R1.339 CC(=O)C(C)NC(=O)c1ccco1 1458a_100000183254_200000210301 [0,1,0,0,0,1|0,0,0]=2 738 B13R1.339 CC(=O)C(C)NC(=O)c1cccs1 1458a_100000186458_200000210301 [0,1,0,0,0,1|0,1,0]=3 739 B13R1.339 CC(=O)C(C)N[C@H](C)c1ccco1 2230a_100160469435_100009814033 [0,1,0,0,0,1|1,0,1]=4 740 B13R1.339 CC(=O)C(C)O[C@@H](C)c1ccco1 7a_100000755270_100000179758 [0,1,0,0,0,1|1,0,1]=4 741 B13R1.339 CC(C)C(=O)CC(=O)c1ccco1 1458a_100000210198_100000211439 [0,1,0,0,0,1|1,0,1]=4 742 B13R1.339 CC(C)N(C)CC(=O)c1ccco1 269982a_200000211004_100000211439 [0,1,0,0,0,1|1,0,1]=4 743 B13R1.339 CC(F)C(=O)CC(=O)c1ccco1 1458a_100000062450_100000211439 [0,1,0,0,0,1|1,0,1]=4 744 B13R1.339 CC(NC(=O)c1ccco1)C(=O)[13CH3] 1458a_100000183254_200025704644 [0,1,0,0,0,1|0,0,0]=2 745 B13R1.339 CC(NC(=O)c1cccs1)C(=O)[13CH3] 1458a_100000186458_200025704644 [0,1,0,0,0,1|0,1,0]=3 746 B13R1.339 C[C@@H](O)C(=O)CC(=O)c1ccco1 1458a_100000717761_100000211439 [0,1,0,0,0,1|0,0,2]=4 747 B13R1.339 C[C@H](O)C(=O)CC(=O)c1ccco1 1458a_217856618621_100000211439 [0,1,0,0,0,1|0,0,2]=4 748 B13R1.340 CC(=O)CN(C)C(=O)c1ccco1 1458a_100000194967_200000210301 [0,1,0,0,0,1|0,0,0]=2 749 B13R1.340 CN(CC(=O)[13CH3])C(=O)c1ccco1 1458a_100000194967_200025704644 [0,1,0,0,0,1|0,0,0]=2 750 B13R1.413 CCC(=NNC(=O)C)c1ccco1 4a_100000189765_100000749595 [0,1,0,0,0,1|2,0,0]=4 751 B13R1.588 C=C(C)CNS(=O)(=O)c1ccco1 270084a_100000765925_200000702926 [0,1,0,0,0,1|2,0,0]=4 752 B13R1.588 C=C(C)CNS(=O)(=O)c1ccco1 274078a_100000765925_200000702926 [0,1,0,0,0,1|2,0,0]=4 753 B13R1.588 CC(=O)CNS(=O)(=O)c1cccs1 1458a_100000165739_200000210301 [0,1,0,0,0,1|1,1,0]=4 754 B13R1.588 CC(=O)NNS(=O)(=O)c1ccco1 20a_100000189765_200000702926 [0,1,0,0,0,1|2,0,0]=4 755 B13R1.588 NC(=O)CNS(=O)(=O)c1ccco1 270084a_100000711301_200000702926 [0,1,0,0,0,1|2,0,0]=4 756 B13R1.588 [13CH3]C(=O)CNS(=O)(=O)c1cccs1 1458a_100000165739_200025704644 [0,1,0,0,0,1|1,1,0]=4 757 B13R1.2780 CC(C)(C)OCC(=O)c1ccco1 7a_100015890283_100000211439 [0,1,0,0,0,1|1,0,1]=4 758 B13R1.2780 CC(C)(C)SCC(=O)c1ccco1 62a_100000211439_100000211941 [0,1,0,0,0,1|1,0,1]=4 759 B13R1.2780 CC(C)(C)SCC(=O)c1ccco1 62a_100000211941_100000211439 [0,1,0,0,0,1|1,0,1]=4 760 B13R1.2780 CS(=O)(=O)NNC(=O)c1ccco1 40a_100000185077_100000738038 [0,1,0,0,0,1|2,0,0]=4 761 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,1,0,0,0,1|1,0,1]=4 762 B13R1.11 C#CC(=O)CC(=O)c1ccccn1 1458a_100000211873_100000027445 [0,1,0,0,0,1|1,0,1]=4 763 B13R1.11 C#CC(=O)CC(=O)c1cccnc1 1458a_100000211873_100015188593 [0,1,0,0,0,1|1,0,1]=4 764 B13R1.11 C#CC(=O)CC(=O)c1ccncc1 1458a_100000211873_100000027454 [0,1,0,0,0,1|1,0,1]=4 765 B13R1.11 C#CC(=O)CC(=O)c1ncccn1 1458a_100000211873_100020636365 [0,1,0,0,0,1|1,0,1]=4 766 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,0,0,0,1|1,0,1]=4 767 B13R1.11 C=CC(=O)CC(=O)c1ccccn1 1458a_100000185746_100000027445 [0,1,0,0,0,1|1,0,1]=4 768 B13R1.11 C=CC(=O)CC(=O)c1cccnc1 1458a_100000185746_100015188593 [0,1,0,0,0,1|1,0,1]=4 769 B13R1.11 C=CC(=O)CC(=O)c1ccncc1 1458a_100000185746_100000027454 [0,1,0,0,0,1|1,0,1]=4 770 B13R1.11 C=CC(=O)CC(=O)c1ncccn1 1458a_100000185746_100020636365 [0,1,0,0,0,1|1,0,1]=4 771 B13R1.11 CCC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000747405 [0,1,0,0,0,1|0,0,2]=4 772 B13R1.11 CCC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000747405 [0,1,0,0,0,1|0,0,2]=4 773 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,1|1,0,0]=3 774 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,1|1,0,0]=3 775 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,1|1,0,0]=3 776 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,1|1,0,0]=3 777 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,1|1,0,0]=3 778 B13R1.11 CCC(=O)CC(=O)c1ncccn1 1458a_100000210414_100020636365 [0,1,0,0,0,1|1,0,0]=3 779 B13R1.11 CNC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000183359 [0,1,0,0,0,1|0,0,2]=4 780 B13R1.11 CNC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000183359 [0,1,0,0,0,1|0,0,2]=4 781 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,1|1,0,0]=3 782 B13R1.11 COC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000747449 [0,1,0,0,0,1|0,0,2]=4 783 B13R1.11 COC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000747449 [0,1,0,0,0,1|0,0,2]=4 784 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,1|1,0,0]=3 785 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,1|1,0,0]=3 786 B13R1.11 O=C(CO)CC(=O)c1ccccn1 1458a_100000210174_100000027445 [0,1,0,0,0,1|1,0,0]=3 787 B13R1.11 O=C(CO)CC(=O)c1cccnc1 1458a_100000210174_100015188593 [0,1,0,0,0,1|1,0,0]=3 788 B13R1.11 O=C(CO)CC(=O)c1ccncc1 1458a_100000210174_100000027454 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.11 O=C(CO)CC(=O)c1ncccn1 1458a_100000210174_100020636365 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748629 [0,1,0,0,0,1|2,0,0]=4 791 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748629 [0,1,0,0,0,1|2,0,0]=4 792 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748629 [0,1,0,0,0,1|2,0,0]=4 793 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748629 [0,1,0,0,0,1|2,0,0]=4 794 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748629 [0,1,0,0,0,1|2,0,0]=4 795 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,0,0,0,1|2,0,0]=4 796 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,0,0,0,1|1,0,0]=3 797 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,0,0,0,1|1,0,0]=3 798 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,0,0,0,1|1,0,0]=3 799 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,0,0,0,1|1,0,0]=3 800 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,0,0,0,1|1,0,0]=3 801 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,1|1,0,0]=3 802 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,1|1,0,0]=3 803 B13R1.132 CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000070787_100016989621 [0,1,0,0,0,1|1,0,0]=3 804 B13R1.132 CC(=O)CC(=O)c1ccc(nc1)C 1458a_100000070787_100012027583 [0,1,0,0,0,1|1,0,0]=3 805 B13R1.132 CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000070787_100009864725 [0,1,0,0,0,1|1,0,0]=3 806 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,0,0,0,1|2,0,0]=4 807 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,0,0,0,1|2,0,0]=4 809 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,0,0,0,1|2,0,0]=4 810 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,0,0,0,1|2,0,0]=4 811 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,0,0,0,1|2,0,0]=4 812 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,0,0,0,1|2,0,0]=4 813 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,1,0,0,0,1|2,0,0]=4 814 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,1,0,0,0,1|2,0,0]=4 815 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,1,0,0,0,1|2,0,0]=4 816 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,1,0,0,0,1|2,0,0]=4 817 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,1,0,0,0,1|2,0,0]=4 818 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748629 [0,1,0,0,0,1|2,0,0]=4 819 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,1,0,0,0,1|2,0,0]=4 820 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748629 [0,1,0,0,0,1|2,0,0]=4 821 B13R1.147 C=C(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748629 [0,1,0,0,0,1|2,0,0]=4 822 B13R1.147 C=C(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748629 [0,1,0,0,0,1|2,0,0]=4 823 B13R1.147 C=C(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748629 [0,1,0,0,0,1|2,0,0]=4 824 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,1,0,0,0,1|1,0,0]=3 825 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,0,0,0,1|1,0,0]=3 826 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,1,0,0,0,1|1,0,0]=3 827 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,1,0,0,0,1|1,0,0]=3 828 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,0,0,0,1|1,0,0]=3 829 B13R1.147 CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000070787_100009817076 [0,1,0,0,0,1|1,0,0]=3 830 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,0,0,0,1|2,0,0]=4 831 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,1,0,0,0,1|2,0,0]=4 832 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,1,0,0,0,1|2,0,0]=4 833 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,1,0,0,0,1|2,0,0]=4 835 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,1,0,0,0,1|2,0,0]=4 836 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,1,0,0,0,1|2,0,0]=4 837 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Br 1458a_100000210664_100020667443 [0,1,0,0,0,1|2,0,0]=4 838 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Cl 1458a_100000210390_100020667443 [0,1,0,0,0,1|2,0,0]=4 839 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)F 1458a_100000210950_100020667443 [0,1,0,0,0,1|2,0,0]=4 840 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)I 1458a_100000184098_100020667443 [0,1,0,0,0,1|2,0,0]=4 841 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [0,1,0,0,0,1|2,0,0]=4 842 B13R1.152 CC(=O)C(C)C(=O)C1=CCCCO1 1458a_100000764163_100000179758 [0,1,0,0,0,1|0,0,2]=4 843 B13R1.152 CC(=O)C(C)C(=O)C1=COCCO1 1458a_100000008702_100000179758 [0,1,0,0,0,1|0,0,2]=4 844 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,0,0,0,1|1,0,0]=3 845 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,0,0,0,1|1,0,0]=3 846 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,0,0,0,1|2,0,0]=4 847 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,0,0,0,1|2,0,0]=4 848 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,1,0,0,0,1|2,0,0]=4 849 B13R1.201 C=C(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748629 [0,1,0,0,0,1|2,0,0]=4 850 B13R1.201 C=C(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748629 [0,1,0,0,0,1|2,0,0]=4 851 B13R1.201 C=C(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748629 [0,1,0,0,0,1|2,0,0]=4 852 B13R1.201 C=C(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748629 [0,1,0,0,0,1|2,0,0]=4 853 B13R1.201 C=C(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748629 [0,1,0,0,0,1|2,0,0]=4 854 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,1,0,0,0,1|2,0,0]=4 855 B13R1.201 C=C(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748629 [0,1,0,0,0,1|2,0,0]=4 856 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,0,0,0,1|1,0,0]=3 857 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,0,0,0,1|1,0,0]=3 858 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,0,0,0,1|1,0,0]=3 859 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,0,0,0,1|1,0,0]=3 860 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,0,0,0,1|1,0,0]=3 861 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,0,0,0,1|1,0,0]=3 862 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,1,0,0,0,1|2,0,0]=4 864 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,1,0,0,0,1|2,0,0]=4 867 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,1,0,0,0,1|2,0,0]=4 873 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000070787_100000240042 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200000210301 [0,1,0,0,0,1|2,0,0]=4 878 B13R1.347 [13CH3]C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200025704644 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.346 CC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000179758 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.346 CC(=O)C(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000179758 [0,1,0,0,0,1|1,0,0]=3 881 B13R1.346 CC(=O)C(C)C(=O)Cc1ccco1 1458a_100011217309_100000179758 [0,1,0,0,0,1|0,0,0]=2 882 B13R1.346 CC(=O)C(C)C(=O)Cc1cccs1 1458a_100000210189_100000179758 [0,1,0,0,0,1|0,1,0]=3 883 B13R1.346 CC(=O)C(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_100000179758 [0,1,0,0,0,1|2,0,0]=4 884 B13R1.346 CC(=O)C(C)C(=O)Cc1ccoc1 1458a_100000684892_100000179758 [0,1,0,0,0,1|2,0,0]=4 885 B13R1.346 CC(=O)C(C)C(=O)Cc1ccsc1 1458a_100000184062_100000179758 [0,1,0,0,0,1|2,0,0]=4 886 B13R1.346 CC(=O)C(C)C(=O)Cc1cscn1 1458a_100011438297_100000179758 [0,1,0,0,0,1|2,0,0]=4 887 B13R1.346 CC(=O)C(C)C(=O)Cn1cccc1 1458a_100011196272_100000179758 [0,1,0,0,0,1|2,0,0]=4 888 B13R1.346 CC(=O)C(C)C(=O)Cn1cccn1 1458a_100000233772_100000179758 [0,1,0,0,0,1|2,0,0]=4 889 B13R1.346 CC(=O)C(C)C(=O)Nc1nccs1 1458a_100000070787_100000735913 [0,1,0,0,0,1|1,1,0]=4 890 B13R1.346 CC(=O)C(C)N(C)Cc1ccco1 2230a_100000185268_100009814033 [0,1,0,0,0,1|2,0,0]=4 891 B13R1.346 CC(=O)C(C)N(C)Cc1ccco1 269982a_100000185268_100009814033 [0,1,0,0,0,1|2,0,0]=4 892 B13R1.346 CC(C(=O)N)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000702099 [0,1,0,0,0,1|2,0,0]=4 893 B13R1.346 CC(C(=O)N)C(=O)Cc1ccco1 1458a_100011217309_100000702099 [0,1,0,0,0,1|1,0,0]=3 894 B13R1.346 CC(C(=O)N)C(=O)Cc1cccs1 1458a_100000210189_100000702099 [0,1,0,0,0,1|1,1,0]=4 895 B13R1.346 NC(=O)C(F)C(=O)Cc1ccc[nH]1 1458a_100000238377_100009813875 [0,1,0,0,0,1|2,0,0]=4 896 B13R1.346 NC(=O)C(F)C(=O)Cc1ccco1 1458a_100011217309_100009813875 [0,1,0,0,0,1|1,0,0]=3 897 B13R1.346 NC(=O)C(F)C(=O)Cc1cccs1 1458a_100000210189_100009813875 [0,1,0,0,0,1|1,1,0]=4 898 B13R1.346 O=C([O-])C(F)C(=O)Cc1ccc[nH]1 1458a_100000238377_100020610796 [0,1,0,0,0,1|2,0,0]=4 899 B13R1.346 O=C([O-])C(F)C(=O)Cc1ccco1 1458a_100011217309_100020610796 [0,1,0,0,0,1|1,0,0]=3 900 B13R1.346 O=C([O-])C(F)C(=O)Cc1cccs1 1458a_100000210189_100020610796 [0,1,0,0,0,1|1,1,0]=4 901 B13R1.545 C=C(C#N)CC(=O)Cc1ccco1 1458a_100011217309_100000694840 [0,1,0,0,0,1|1,0,1]=4 902 B13R1.545 CCC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000747405 [0,1,0,0,0,1|2,0,0]=4 903 B13R1.545 CCC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747405 [0,1,0,0,0,1|1,0,0]=3 904 B13R1.545 CCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747405 [0,1,0,0,0,1|0,0,0]=2 905 B13R1.545 CCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747405 [0,1,0,0,0,1|0,1,0]=3 906 B13R1.545 CCC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000747405 [0,1,0,0,0,1|2,0,0]=4 907 B13R1.545 CCC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000747405 [0,1,0,0,0,1|2,0,0]=4 908 B13R1.545 CCC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000747405 [0,1,0,0,0,1|2,0,0]=4 909 B13R1.545 CCC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000747405 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.545 CCC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000747405 [0,1,0,0,0,1|2,0,0]=4 911 B13R1.545 CCC(=O)CC(=O)Cn1cccn1 1458a_100000233772_100000747405 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.545 CCC(=O)CC(=O)Nc1ccon1 1458a_100000210414_100000239699 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.545 CCC(=O)CC(=O)Nc1nccs1 1458a_100000210414_100000183294 [0,1,0,0,0,1|1,1,0]=4 914 B13R1.545 CCC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747405 [0,1,0,0,0,1|2,0,0]=4 915 B13R1.545 CCC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748023 [0,1,0,0,0,1|1,0,1]=4 916 B13R1.545 CCC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218378 [0,1,0,0,0,1|0,0,2]=4 917 B13R1.545 CC[C@H](C)CC(=O)Cc1ccco1 1458a_100011217309_100009816398 [0,1,0,0,0,1|1,0,1]=4 918 B13R1.545 CNC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000183359 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.545 CNC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000183359 [0,1,0,0,0,1|1,0,0]=3 920 B13R1.545 CNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183359 [0,1,0,0,0,1|0,0,0]=2 921 B13R1.545 CNC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000183359 [0,1,0,0,0,1|0,1,0]=3 922 B13R1.545 CNC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000183359 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.545 CNC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000183359 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.545 CNC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000183359 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.545 CNC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000183359 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.545 CNC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000183359 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.545 CNC(=O)CC(=O)Cn1cccn1 1458a_100000233772_100000183359 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.545 CNC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000183359 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.545 CNC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000183359 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.545 CNC(=O)CN(C)Cc1ccco1 270004a_100000189611_100000186105 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.545 COC(=O)CC(=O)Cc1c[nH]cn1 1458a_100000211351_100000707719 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.545 COC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000747449 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.545 COC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747449 [0,1,0,0,0,1|1,0,0]=3 934 B13R1.545 COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747449 [0,1,0,0,0,1|0,0,0]=2 935 B13R1.545 COC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747449 [0,1,0,0,0,1|0,1,0]=3 936 B13R1.545 COC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000211351_100000728653 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.545 COC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000747449 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.545 COC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000747449 [0,1,0,0,0,1|2,0,0]=4 939 B13R1.545 COC(=O)CC(=O)Cc1ccon1 1458a_100000211351_100000234950 [0,1,0,0,0,1|2,0,0]=4 940 B13R1.545 COC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000747449 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.545 COC(=O)CC(=O)Cc1ccsc1 1458a_100000211351_100011233845 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.545 COC(=O)CC(=O)Cc1cncs1 1458a_100000211351_100015185245 [0,1,0,0,0,1|1,1,0]=4 943 B13R1.545 COC(=O)CC(=O)Cc1cscn1 1458a_100000211351_100000205941 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.545 COC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000747449 [0,1,0,0,0,1|2,0,0]=4 945 B13R1.545 COC(=O)CC(=O)Cc1ncco1 1458a_100000211351_103436540062 [0,1,0,0,0,1|1,0,0]=3 946 B13R1.545 COC(=O)CC(=O)Cc1nccs1 1458a_100000211351_100015184050 [0,1,0,0,0,1|1,1,0]=4 947 B13R1.545 COC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000747449 [0,1,0,0,0,1|2,0,0]=4 948 B13R1.545 COC(=O)CC(=O)Cn1cccn1 1458a_100000233772_100000747449 [0,1,0,0,0,1|2,0,0]=4 949 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009814098_100009817358 [0,1,0,0,0,1|1,0,1]=4 950 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009817358_100009814098 [0,1,0,0,0,1|1,0,1]=4 951 B13R1.545 COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747449 [0,1,0,0,0,1|2,0,0]=4 952 B13R1.545 COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747449 [0,1,0,0,0,1|2,0,0]=4 953 B13R1.545 COC(=O)CN(C)Cc1ccco1 270004a_100000198492_100000186105 [0,1,0,0,0,1|2,0,0]=4 954 B13R1.545 C[C@@H](CO)CC(=O)Cc1ccco1 1458a_100011217309_100000059175 [0,1,0,0,0,1|0,0,2]=4 955 B13R1.545 O=C(CO)CC(=O)Nc1ccon1 1458a_100000210174_100000239699 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.545 O=C(CO)CC(=O)Nc1nccs1 1458a_100000210174_100000183294 [0,1,0,0,0,1|1,1,0]=4 957 B13R1.1116 CS(=O)(=O)CC(=O)Cc1ncco1 1458a_100000744497_103436540062 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.1116 CS(=O)(=O)NC(=O)Cc1ccco1 2740a_100000171171_100011217309 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.1116 C[Si](C)(C)CC(=O)Cc1ccco1 1458a_100011217309_100000233785 [0,1,0,0,0,1|1,1,0]=4 960 B13R1.1116 NS(=O)(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000741382 [0,1,0,0,0,1|2,0,0]=4 961 B13R1.1116 O=C(Cc1ccco1)CS(=O)(=O)[O-] 1458a_100011217309_100009817235 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.3424 C=C(C)CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000748629 [0,1,0,0,0,1|1,1,0]=4 963 B13R1.3424 C=C(C)CC(=O)Cc1cc(no1)C 1458a_100000037866_100000748629 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.3424 C=C(C)CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000748629 [0,1,0,0,0,1|1,1,0]=4 965 B13R1.3424 C=C(C)CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000748629 [0,1,0,0,0,1|1,1,0]=4 966 B13R1.3424 CC(=O)CC(=O)Nc1cc(n[nH]1)C 1458a_100000070787_100011204613 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.3424 CC(=O)CC(=O)Nc1cc(on1)C 1458a_100000070787_100000183126 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.3424 CC(=O)CC(=O)Nc1nc(cs1)C 1458a_100000070787_100000181401 [0,1,0,0,0,1|1,1,0]=4 969 B13R1.3424 CC(=O)CC(=O)Nc1ncc(s1)Br 1458a_100000070787_100000183379 [0,1,0,0,0,1|1,1,0]=4 970 B13R1.3424 Cc1cc(on1)CC(=O)CC(=O)N 1458a_100000037866_100000187820 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.3424 Cc1cc(on1)CC(=O)CC(=O)N 1458a_100134613110_100000707947 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.3424 Cc1cc(on1)CC(=O)CC(=O)[O-] 1458a_100000037866_100020667443 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.3424 NC(=O)CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000187820 [0,1,0,0,0,1|1,1,0]=4 974 B13R1.3424 NC(=O)CC(=O)Cc1cc(cs1)Br 1458a_100134613110_100000746031 [0,1,0,0,0,1|1,1,0]=4 975 B13R1.3424 NC(=O)CC(=O)Cc1cc(no1)Br 1458a_100134613110_100000709089 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000187820 [0,1,0,0,0,1|1,1,0]=4 977 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Br 1458a_100134613110_100000708592 [0,1,0,0,0,1|1,1,0]=4 978 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000187820 [0,1,0,0,0,1|1,1,0]=4 979 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Cl 1458a_100134613110_100000185097 [0,1,0,0,0,1|1,1,0]=4 980 B13R1.3424 O=C([O-])CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100020667443 [0,1,0,0,0,1|1,1,0]=4 981 B13R1.3424 O=C([O-])CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100020667443 [0,1,0,0,0,1|1,1,0]=4 982 B13R1.3424 O=C([O-])CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100020667443 [0,1,0,0,0,1|1,1,0]=4 983 B13R1.10 C#CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000211873_100000185163 [0,2,0,0,0,0|0,1,1]=4 984 B13R1.10 C#CC(=O)CC(=O)c1ccc(s1)C 1458a_100000211873_100011262362 [0,2,0,0,0,0|0,1,1]=4 985 B13R1.10 C#CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000211873_100000185135 [0,2,0,0,0,0|0,1,1]=4 986 B13R1.10 C=CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000185746_100000185163 [0,2,0,0,0,0|0,1,1]=4 987 B13R1.10 C=CC(=O)CC(=O)c1ccc(s1)C 1458a_100000185746_100011262362 [0,2,0,0,0,0|0,1,1]=4 988 B13R1.10 C=CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000185746_100000185135 [0,2,0,0,0,0|0,1,1]=4 989 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)Br 1458a_100000210414_100000185163 [0,2,0,0,0,0|0,1,0]=3 990 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)C 1458a_100000210414_100011262362 [0,2,0,0,0,0|0,1,0]=3 991 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000210414_100000185135 [0,2,0,0,0,0|0,1,0]=3 992 B13R1.10 Cc1ccc(s1)C(=O)CC(=O)CO 1458a_100000210174_100011262362 [0,2,0,0,0,0|0,1,0]=3 993 B13R1.10 O=C(CO)CC(=O)c1ccc(s1)Br 1458a_100000210174_100000185163 [0,2,0,0,0,0|0,1,0]=3 994 B13R1.10 O=C(CO)CC(=O)c1ccc(s1)Cl 1458a_100000210174_100000185135 [0,2,0,0,0,0|0,1,0]=3 995 B13R1.33 C#CCC(=O)CC(=O)c1ccc[nH]1 1458a_100011220946_200011262396 [0,2,0,0,0,0|1,0,0]=3 996 B13R1.33 C#CCC(=O)CC(=O)c1ccco1 1458a_100011220946_100000211439 [0,2,0,0,0,0|0,0,0]=2 997 B13R1.33 C#CCC(=O)CC(=O)c1cccs1 1458a_100011220946_100000211436 [0,2,0,0,0,0|0,1,0]=3 998 B13R1.33 C#CCC(=O)CC(=O)c1ccsc1 1458a_100011220946_100011219462 [0,2,0,0,0,0|2,0,0]=4 999 B13R1.33 C#CCC(=O)CC(=O)c1nccs1 1458a_100011220946_100000718653 [0,2,0,0,0,0|1,1,0]=4 1000 B13R1.33 C#CCC(=O)CC(=O)n1cccn1 1458a_100011220946_100000077511 [0,2,0,0,0,0|2,0,0]=4 1001 B13R1.33 C=CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210193_200011262396 [0,2,0,0,0,0|1,0,0]=3 1002 B13R1.33 C=CCC(=O)CC(=O)c1ccco1 1458a_100000210193_100000211439 [0,2,0,0,0,0|0,0,0]=2 1003 B13R1.33 C=CCC(=O)CC(=O)c1cccs1 1458a_100000210193_100000211436 [0,2,0,0,0,0|0,1,0]=3 1004 B13R1.33 C=CCC(=O)CC(=O)c1ccsc1 1458a_100000210193_100011219462 [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.33 C=CCC(=O)CC(=O)c1nccs1 1458a_100000210193_100000718653 [0,2,0,0,0,0|1,1,0]=4 1006 B13R1.33 C=CCC(=O)CC(=O)n1cccn1 1458a_100000210193_100000077511 [0,2,0,0,0,0|2,0,0]=4 1007 B13R1.33 C=CCN(C)CC(=O)c1ccco1 269982a_100000225617_100000211439 [0,2,0,0,0,0|2,0,0]=4 1008 B13R1.33 CC#CC(=O)CC(=O)c1ccc[nH]1 1458a_100000763181_200011262396 [0,2,0,0,0,0|1,0,0]=3 1009 B13R1.33 CC#CC(=O)CC(=O)c1ccco1 1458a_100000763181_100000211439 [0,2,0,0,0,0|0,0,0]=2 1010 B13R1.33 CC#CC(=O)CC(=O)c1cccs1 1458a_100000763181_100000211436 [0,2,0,0,0,0|0,1,0]=3 1011 B13R1.33 CC#CC(=O)CC(=O)c1ccsc1 1458a_100000763181_100011219462 [0,2,0,0,0,0|2,0,0]=4 1012 B13R1.33 CC#CC(=O)CC(=O)c1nccs1 1458a_100000763181_100000718653 [0,2,0,0,0,0|1,1,0]=4 1013 B13R1.33 CC#CC(=O)CC(=O)n1cccn1 1458a_100000763181_100000077511 [0,2,0,0,0,0|2,0,0]=4 1014 B13R1.33 CC=CC(=O)CC(=O)c1ccc[nH]1 1458a_100000210699_200011262396 [0,2,0,0,0,0|1,0,0]=3 1015 B13R1.33 CC=CC(=O)CC(=O)c1ccco1 1458a_100000210699_100000211439 [0,2,0,0,0,0|0,0,0]=2 1016 B13R1.33 CC=CC(=O)CC(=O)c1cccs1 1458a_100000210699_100000211436 [0,2,0,0,0,0|0,1,0]=3 1017 B13R1.33 CC=CC(=O)CC(=O)c1ccsc1 1458a_100000210699_100011219462 [0,2,0,0,0,0|2,0,0]=4 1018 B13R1.33 CC=CC(=O)CC(=O)c1nccs1 1458a_100000210699_100000718653 [0,2,0,0,0,0|1,1,0]=4 1019 B13R1.33 CC=CC(=O)CC(=O)n1cccn1 1458a_100000210699_100000077511 [0,2,0,0,0,0|2,0,0]=4 1020 B13R1.33 CCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211992_200011262396 [0,2,0,0,0,0|1,0,0]=3 1021 B13R1.33 CCCC(=O)CC(=O)c1ccco1 1458a_100000211992_100000211439 [0,2,0,0,0,0|0,0,0]=2 1022 B13R1.33 CCCC(=O)CC(=O)c1cccs1 1458a_100000211992_100000211436 [0,2,0,0,0,0|0,1,0]=3 1023 B13R1.33 CCCC(=O)CC(=O)c1ccsc1 1458a_100000211992_100011219462 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.33 CCCC(=O)CC(=O)c1nccs1 1458a_100000211992_100000718653 [0,2,0,0,0,0|1,1,0]=4 1025 B13R1.33 CCCC(=O)CC(=O)n1cccn1 1458a_100000211992_100000077511 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.33 CCCN(C)CC(=O)c1ccco1 269982a_100000747261_100000211439 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.33 CCOC(=O)/C=C(\C)/c1ccco1 271570a_100050291487_100009814098 [0,2,0,0,0,0|1,0,1]=4 1028 B13R1.33 CN(CCO)CC(=O)c1ccco1 269982a_100000210263_100000211439 [0,2,0,0,0,0|1,0,1]=4 1029 B13R1.33 CNCC(=O)NC(=O)c1ccco1 2230a_106832991635_100000021957 [0,2,0,0,0,0|1,0,0]=3 1030 B13R1.33 CNCC(=O)NC(=O)c1ccco1 7a_106832991635_100000021957 [0,2,0,0,0,0|1,0,0]=3 1031 B13R1.33 CNCC(=O)NC(=O)c1cccs1 2230a_106832991635_100000016191 [0,2,0,0,0,0|1,1,0]=4 1032 B13R1.33 CNCC(=O)NC(=O)c1cccs1 7a_106832991635_100000016191 [0,2,0,0,0,0|1,1,0]=4 1033 B13R1.33 COCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210968_200011262396 [0,2,0,0,0,0|1,0,0]=3 1034 B13R1.33 COCC(=O)CC(=O)c1ccco1 1458a_100000210968_100000211439 [0,2,0,0,0,0|0,0,0]=2 1035 B13R1.33 COCC(=O)CC(=O)c1cccs1 1458a_100000210968_100000211436 [0,2,0,0,0,0|0,1,0]=3 1036 B13R1.33 COCC(=O)CC(=O)c1ccsc1 1458a_100000210968_100011219462 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.33 COCC(=O)CC(=O)c1nccs1 1458a_100000210968_100000718653 [0,2,0,0,0,0|1,1,0]=4 1038 B13R1.33 COCC(=O)CC(=O)n1cccn1 1458a_100000210968_100000077511 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.33 CSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000184570_200011262396 [0,2,0,0,0,0|1,0,0]=3 1040 B13R1.33 CSCC(=O)CC(=O)c1ccco1 1458a_100000184570_100000211439 [0,2,0,0,0,0|0,0,0]=2 1041 B13R1.33 CSCC(=O)CC(=O)c1cccs1 1458a_100000184570_100000211436 [0,2,0,0,0,0|0,1,0]=3 1042 B13R1.33 CSCC(=O)CC(=O)c1ccsc1 1458a_100000184570_100011219462 [0,2,0,0,0,0|2,0,0]=4 1043 B13R1.33 CSCC(=O)CC(=O)c1nccs1 1458a_100000184570_100000718653 [0,2,0,0,0,0|1,1,0]=4 1044 B13R1.33 CSCC(=O)CC(=O)n1cccn1 1458a_100000184570_100000077511 [0,2,0,0,0,0|2,0,0]=4 1045 B13R1.33 CSCC(=O)NC(=O)c1ccco1 62a_200000210301_100000021957 [0,2,0,0,0,0|1,0,0]=3 1046 B13R1.33 CSCC(=O)NC(=O)c1cccs1 62a_200000210301_100000016191 [0,2,0,0,0,0|1,1,0]=4 1047 B13R1.33 N#CCC(=O)CC(=O)c1ccc[nH]1 1458a_100051588842_200011262396 [0,2,0,0,0,0|1,0,0]=3 1048 B13R1.33 N#CCC(=O)CC(=O)c1ccco1 1458a_100051588842_100000211439 [0,2,0,0,0,0|0,0,0]=2 1049 B13R1.33 N#CCC(=O)CC(=O)c1cccs1 1458a_100051588842_100000211436 [0,2,0,0,0,0|0,1,0]=3 1050 B13R1.33 N#CCC(=O)CC(=O)c1ccsc1 1458a_100051588842_100011219462 [0,2,0,0,0,0|2,0,0]=4 1051 B13R1.33 N#CCC(=O)CC(=O)c1nccs1 1458a_100051588842_100000718653 [0,2,0,0,0,0|1,1,0]=4 1052 B13R1.33 N#CCC(=O)CC(=O)n1cccn1 1458a_100051588842_100000077511 [0,2,0,0,0,0|2,0,0]=4 1053 B13R1.33 O=C(C=CBr)CC(=O)c1ccc[nH]1 1458a_100016273825_200011262396 [0,2,0,0,0,0|1,0,1]=4 1054 B13R1.33 O=C(C=CBr)CC(=O)c1ccco1 1458a_100016273825_100000211439 [0,2,0,0,0,0|0,0,1]=3 1055 B13R1.33 O=C(C=CBr)CC(=O)c1cccs1 1458a_100016273825_100000211436 [0,2,0,0,0,0|0,1,1]=4 1056 B13R1.33 O=C(C=CCl)CC(=O)c1ccc[nH]1 1458a_200016279998_200011262396 [0,2,0,0,0,0|1,0,1]=4 1057 B13R1.33 O=C(C=CCl)CC(=O)c1ccco1 1458a_200016279998_100000211439 [0,2,0,0,0,0|0,0,1]=3 1058 B13R1.33 O=C(C=CCl)CC(=O)c1cccs1 1458a_200016279998_100000211436 [0,2,0,0,0,0|0,1,1]=4 1059 B13R1.33 O=C(C=CI)CC(=O)c1ccc[nH]1 1458a_100016256311_200011262396 [0,2,0,0,0,0|1,0,1]=4 1060 B13R1.33 O=C(C=CI)CC(=O)c1ccco1 1458a_100016256311_100000211439 [0,2,0,0,0,0|0,0,1]=3 1061 B13R1.33 O=C(C=CI)CC(=O)c1cccs1 1458a_100016256311_100000211436 [0,2,0,0,0,0|0,1,1]=4 1062 B13R1.33 O=C(CCO)CC(=O)c1ccc[nH]1 1458a_100011216618_200011262396 [0,2,0,0,0,0|1,0,0]=3 1063 B13R1.33 O=C(CCO)CC(=O)c1ccco1 1458a_100011216618_100000211439 [0,2,0,0,0,0|0,0,0]=2 1064 B13R1.33 O=C(CCO)CC(=O)c1cccs1 1458a_100011216618_100000211436 [0,2,0,0,0,0|0,1,0]=3 1065 B13R1.33 O=C(CCO)CC(=O)c1ccsc1 1458a_100011216618_100011219462 [0,2,0,0,0,0|2,0,0]=4 1066 B13R1.33 O=C(CCO)CC(=O)c1nccs1 1458a_100011216618_100000718653 [0,2,0,0,0,0|1,1,0]=4 1067 B13R1.33 O=C(CCO)CC(=O)n1cccn1 1458a_100011216618_100000077511 [0,2,0,0,0,0|2,0,0]=4 1068 B13R1.33 [13CH3]SCC(=O)NC(=O)c1ccco1 62a_200025704644_100000021957 [0,2,0,0,0,0|1,0,0]=3 1069 B13R1.33 [13CH3]SCC(=O)NC(=O)c1cccs1 62a_200025704644_100000016191 [0,2,0,0,0,0|1,1,0]=4 1070 B13R1.65 CCN(CC)CC(=O)c1ccco1 269956a_100000042499_100000211439 [0,2,0,0,0,0|2,0,0]=4 1071 B13R1.65 CCN(CC)CC(=O)c1ccco1 269982a_100000724800_100000211439 [0,2,0,0,0,0|2,0,0]=4 1072 B13R1.83 C#CC(=O)C(C)C(=O)c1cccs1 1458a_100000211873_100011262360 [0,2,0,0,0,0|0,1,1]=4 1073 B13R1.83 C=CC(=O)C(C)C(=O)c1cccs1 1458a_100000185746_100011262360 [0,2,0,0,0,0|0,1,1]=4 1074 B13R1.83 CC(C(=O)CO)C(=O)c1cccs1 1458a_100000210174_100011262360 [0,2,0,0,0,0|0,1,0]=3 1075 B13R1.83 CCC(=O)C(C)C(=O)c1cccs1 1458a_100000210414_100011262360 [0,2,0,0,0,0|0,1,0]=3 1076 B13R1.439 C#CC(=O)CC(=O)c1cccn1C 1458a_100000211873_200011262399 [0,2,0,0,0,0|1,0,1]=4 1077 B13R1.439 C#CC(=O)CC(=O)c1sccc1Br 1458a_100000211873_100000740827 [0,2,0,0,0,0|0,1,1]=4 1078 B13R1.439 C=CC(=O)CC(=O)c1cccn1C 1458a_100000185746_200011262399 [0,2,0,0,0,0|1,0,1]=4 1079 B13R1.439 C=CC(=O)CC(=O)c1sccc1Br 1458a_100000185746_100000740827 [0,2,0,0,0,0|0,1,1]=4 1080 B13R1.439 CCC(=O)CC(=O)c1cccn1C 1458a_100000210414_200011262399 [0,2,0,0,0,0|1,0,0]=3 1081 B13R1.439 CCC(=O)CC(=O)c1nccn1C 1458a_100000210414_100010243886 [0,2,0,0,0,0|2,0,0]=4 1082 B13R1.439 CCC(=O)CC(=O)c1sccc1Br 1458a_100000210414_100000740827 [0,2,0,0,0,0|0,1,0]=3 1083 B13R1.439 Cn1cccc1C(=O)CC(=O)CO 1458a_100000210174_200011262399 [0,2,0,0,0,0|1,0,0]=3 1084 B13R1.439 Cn1ccnc1C(=O)CC(=O)CO 1458a_100000210174_100010243886 [0,2,0,0,0,0|2,0,0]=4 1085 B13R1.439 O=C(CO)CC(=O)c1sccc1Br 1458a_100000210174_100000740827 [0,2,0,0,0,0|0,1,0]=3 1086 B13R1.58 CC(=O)CC(=O)c1c[nH]c(c1)C=O 1458a_100000070787_200000039206 [0,2,0,0,0,0|2,0,0]=4 1087 B13R1.58 CC(=O)CC(=O)c1ccc(s1)C#N 1458a_100000070787_100009817167 [0,2,0,0,0,0|0,1,0]=3 1088 B13R1.3465 CC(=O)CC(=O)c1cc(nn1C)C 1458a_100000070787_100012354424 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.3465 CC(=O)CC(=O)c1cc(sc1C)C 1458a_100000070787_100000199015 [0,2,0,0,0,0|2,0,0]=4 1090 B13R1.3465 CC(=O)CC(=O)c1nn(cc1Cl)C 1458a_100000070787_100031776650 [0,2,0,0,0,0|2,0,0]=4 1091 B13R1.5895 CC(=O)CC(=O)c1scc(c1Br)Br 1458a_100000070787_100012351080 [0,2,0,0,0,0|0,1,0]=3 1092 B11R1.43 CC(=O)Cc1ccc(o1)C=O 1458a_100000070787_200000079136 [0,0,1,1,0,0|0,0,2]=4 1093 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,0,1,1,0,0|1,0,1]=4 1094 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,0,1,1,0,0|1,0,1]=4 1095 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,0,1,1,0,0|1,0,1]=4 1096 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,0,1,1,0,0|1,0,1]=4 1097 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,0,1,1,0,0|1,0,1]=4 1098 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,0,1,1,0,0|0,0,2]=4 1099 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,0,1,1,0,0|0,0,2]=4 1100 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,0,1,1,0,0|1,0,1]=4 1101 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,0,1,1,0,0|1,0,1]=4 1102 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,0,1,1,0,0|1,0,1]=4 1103 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,0,1,1,0,0|1,0,1]=4 1104 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,0,1,1,0,0|0,0,2]=4 1105 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,1,1,0,0|2,0,0]=4 1106 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,1,1,0,0|2,0,0]=4 1107 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,1,1,0,0|2,0,0]=4 1108 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,1,1,0,0|2,0,0]=4 1109 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,1,1,0,0|2,0,0]=4 1110 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,1,1,0,0|2,0,0]=4 1111 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,1,1,0,0|2,0,0]=4 1112 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,1,1,0,0|2,0,0]=4 1113 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,1,1,0,0|2,0,0]=4 1114 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,1,1,0,0|2,0,0]=4 1115 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,1,1,0,0|1,0,0]=3 1116 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,1,1,0,0|1,0,0]=3 1117 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,1,1,0,0|1,0,0]=3 1118 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,0,1,1,0,0|2,0,0]=4 1119 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,0,1,1,0,0|2,0,0]=4 1120 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,1,1,0,0|2,0,0]=4 1121 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,1,1,0,0|2,0,0]=4 1122 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,1,1,0,0|2,0,0]=4 1123 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,1,1,0,0|2,0,0]=4 1124 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,0,1,1,0,0|2,0,0]=4 1125 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,0,1,1,0,0|2,0,0]=4 1126 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,1,1,0,0|2,0,0]=4 1127 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,1,1,0,0|2,0,0]=4 1128 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,1,1,0,0|2,0,0]=4 1129 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,1,1,0,0|2,0,0]=4 1130 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,1,1,0,0|2,0,0]=4 1131 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,1,1,0,0|2,0,0]=4 1132 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,1,1,0,0|2,0,0]=4 1133 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,1,1,0,0|2,0,0]=4 1134 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,0,1,1,0,0|2,0,0]=4 1135 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,1,1,0,0|2,0,0]=4 1136 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,1,1,0,0|2,0,0]=4 1137 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,1,1,0,0|2,0,0]=4 1138 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,1,1,0,0|2,0,0]=4 1139 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,1,1,0,0|1,0,0]=3 1140 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,0,1,1,0,0|2,0,0]=4 1141 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,1,1,0,0|2,0,0]=4 1142 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,0,1,1,0,0|2,0,0]=4 1143 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,1,1,0,0|2,0,0]=4 1144 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,1,1,0,0|2,0,0]=4 1145 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,1,1,0,0|2,0,0]=4 1146 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,1,1,0,0|2,0,0]=4 1147 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,1,1,0,0|2,0,0]=4 1148 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,1,1,0,0|2,0,0]=4 1149 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,1,1,0,0|2,0,0]=4 1150 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,1,1,0,0|2,0,0]=4 1151 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,1,1,0,0|2,0,0]=4 1152 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,1,1,0,0|2,0,0]=4 1153 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,1,1,0,0|1,0,0]=3 1154 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,1,1,0,0|1,0,0]=3 1155 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,1,1,0,0|2,0,0]=4 1156 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,1,1,0,0|2,0,0]=4 1157 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,1,1,0,0|2,0,0]=4 1158 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,1,1,0,0|2,0,0]=4 1159 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,1,1,0,0|2,0,0]=4 1160 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,1,1,0,0|2,0,0]=4 1161 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,1,1,0,0|2,0,0]=4 1162 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,1,1,0,0|1,0,0]=3 1163 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,1,1,0,0|2,0,0]=4 1164 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,1,1,0,0|2,0,0]=4 1165 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,1,1,0,0|2,0,0]=4 1166 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,1,1,0,0|2,0,0]=4 1167 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,1,1,0,0|2,0,0]=4 1168 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,1,1,0,0|2,0,0]=4 1169 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,1,1,0,0|2,0,0]=4 1170 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,1,1,0,0|2,0,0]=4 1171 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,1,1,0,0|2,0,0]=4 1172 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,1,1,0,0|2,0,0]=4 1173 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,1,1,0,0|2,0,0]=4 1174 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,1,1,0,0|1,0,0]=3 1175 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,1,1,0,0|2,0,0]=4 1176 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,1,1,0,0|2,0,0]=4 1177 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,0,1,1,0,0|1,0,1]=4 1178 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,0,1,1,0,0|1,0,1]=4 1179 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,0,1,1,0,0|1,0,1]=4 1180 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,0,1,1,0,0|1,0,1]=4 1181 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,0,1,1,0,0|1,0,1]=4 1182 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,0,1,1,0,0|1,0,1]=4 1183 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,0,1,1,0,0|1,0,1]=4 1184 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,0,1,1,0,0|0,0,2]=4 1185 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,0,1,1,0,0|0,0,2]=4 1186 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,0,1,1,0,0|1,0,1]=4 1187 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,0,1,1,0,0|1,0,1]=4 1188 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,0,1,1,0,0|1,0,1]=4 1189 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,0,1,1,0,0|1,0,1]=4 1190 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,0,1,1,0,0|1,0,1]=4 1191 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,0,1,1,0,0|0,0,2]=4 1192 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [1,0,0,1,0,0|1,0,1]=4 1193 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [1,0,0,1,0,0|2,0,0]=4 1194 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [1,0,0,1,0,0|1,0,1]=4 1195 B13R2.443 O=C(CSC1CC1)c2ccco2 62a_100000211439_100000211595 [0,0,0,1,0,1|1,0,1]=4 1196 B13R2.696 O=C(Cc1ccco1)CC2CC2 1458a_100011217309_100000742324 [0,0,0,1,0,1|1,0,1]=4 1197 B13R2.696 O=C(Cc1ccco1)CC2CO2 1458a_100011217309_100011216344 [0,0,0,1,0,1|0,0,2]=4 1198 B13R2.696 O=C(Cc1ccco1)CC2CS2 1458a_100011217309_100000031435 [0,0,0,1,0,1|0,1,1]=4 1199 B13R2.696 O=C(Cc1ccco1)C[C@@H]2CO2 1458a_100011217309_100000745022 [0,0,0,1,0,1|0,0,2]=4 1200 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,1,0,1,0,0|1,0,1]=4 1201 B13R2.445 O=C(CN1CCC1)c2ccco2 269982a_100000754969_100000211439 [0,1,0,1,0,0|2,0,0]=4 1202 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,0,1,0,1,0|0,0,2]=4 1203 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,0,0,0,1,0|1,0,0]=3 1204 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,0,1,0|1,1,0]=4 1205 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [1,0,0,0,1,0|2,0,0]=4 1206 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,0,0,0,1,0|2,0,0]=4 1207 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,0,0,0,1,0|2,0,0]=4 1208 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,0,0,0,1,0|2,0,0]=4 1209 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|1,0,0]=3 1210 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|0,0,0]=2 1211 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|0,1,0]=3 1212 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,0,0,1,0|2,0,0]=4 1213 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,0,0,1,0|2,0,0]=4 1214 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|2,0,0]=4 1215 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,0,1,0|2,0,0]=4 1216 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|2,0,0]=4 1217 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|2,0,0]=4 1218 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,0,0,0,1,0|1,1,0]=4 1219 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,0,1,0|2,0,0]=4 1220 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,0,1,0|2,0,0]=4 1221 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,0,0,0,1,0|1,0,0]=3 1222 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,0,1,0|1,1,0]=4 1223 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|2,0,0]=4 1224 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,0,0,0,1,0|2,0,0]=4 1225 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 1226 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 1227 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,0,0,0,1,0|2,0,0]=4 1228 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 1229 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 1230 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,0,0,0,1,0|2,0,0]=4 1231 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|1,0,0]=3 1232 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|0,0,0]=2 1233 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|0,1,0]=3 1234 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,0,0,1,0|2,0,0]=4 1235 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|2,0,0]=4 1236 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|2,0,0]=4 1237 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,0,1,0|2,0,0]=4 1238 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|2,0,0]=4 1239 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,0,0,0,1,0|2,0,0]=4 1240 B11R0.46 C/C=C/C=CC(=O)CC=C(C)C 1458a_100000185730_100000761012 [0,0,1,0,0,1|2,0,0]=4 1241 B11R0.46 C/C=C/C=CC(=O)NCC(=O)N 11a_100000711301_100000185730 [0,0,1,0,0,1|2,0,0]=4 1242 B11R0.46 C/C=C/C=CC(=O)NCC(=O)N 240690a_100000711301_100000185730 [0,0,1,0,0,1|2,0,0]=4 1243 B11R0.46 C/C=C/C=CC(=O)NNC(=O)C 22a_100000189765_100000185730 [0,0,1,0,0,1|2,0,0]=4 1244 B11R0.46 C=C(C)CCC(=O)C=C/C=C/C 1458a_100000185730_100000730704 [0,0,1,0,0,1|2,0,0]=4 1245 B11R0.46 C=C(C)CNC(=O)C=C/C=C/C 11a_100000765925_100000185730 [0,0,1,0,0,1|2,0,0]=4 1246 B11R0.46 C=C(C)CNC(=O)C=C/C=C/C 1626a_100000765925_100000185730 [0,0,1,0,0,1|2,0,0]=4 1247 B11R0.46 C=C(C)CNC(=O)C=C/C=C/C 240690a_100000765925_100000185730 [0,0,1,0,0,1|2,0,0]=4 1248 B11R0.46 C=CCOCC(=O)COC(=O)C 34a_200000210373_100000036994 [0,0,1,0,0,1|0,0,2]=4 1249 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,0,0,0,0,1|1,0,1]=4 1250 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,0,0,0,1|1,0,1]=4 1251 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,0,0,0,1|2,0,0]=4 1252 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,0,0,0,0,1|2,0,0]=4 1253 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,0,0,0,0,1|2,0,0]=4 1254 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,0,0,0,0,1|2,0,0]=4 1255 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,0,0,0,0,1|2,0,0]=4 1256 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,0,0,0,1|2,0,0]=4 1257 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,0,0,0,1|2,0,0]=4 1258 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [1,0,0,0,0,1|2,0,0]=4 1259 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [1,0,0,0,0,1|2,0,0]=4 1260 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [1,0,0,0,0,1|2,0,0]=4 1261 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [1,0,0,0,0,1|2,0,0]=4 1262 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [1,0,0,0,0,1|2,0,0]=4 1263 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [1,0,0,0,0,1|2,0,0]=4 1264 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [1,0,0,0,0,1|2,0,0]=4 1265 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [1,0,0,0,0,1|2,0,0]=4 1266 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,0,0,0,1|2,0,0]=4 1267 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,0,0,0,1|2,0,0]=4 1268 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [1,0,0,0,0,1|2,0,0]=4 1269 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [1,0,0,0,0,1|2,0,0]=4 1270 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [1,0,0,0,0,1|2,0,0]=4 1271 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [1,0,0,0,0,1|2,0,0]=4 1272 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [1,0,0,0,0,1|2,0,0]=4 1273 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [1,0,0,0,0,1|2,0,0]=4 1274 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [1,0,0,0,0,1|2,0,0]=4 1275 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [1,0,0,0,0,1|2,0,0]=4 1276 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [1,0,0,0,0,1|0,0,2]=4 1277 B11R1.30 C=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210623 [1,0,0,0,0,1|1,0,1]=4 1278 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [1,0,0,0,0,1|0,0,1]=3 1279 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [1,0,0,0,0,1|0,1,1]=4 1280 B11R1.30 C=CCC(=O)Cc1ncco1 1458a_100000210193_103436540062 [1,0,0,0,0,1|1,0,1]=4 1281 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [1,0,0,0,0,1|1,0,1]=4 1282 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [1,0,0,0,0,1|1,0,1]=4 1283 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [1,0,0,0,0,1|0,0,1]=3 1284 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [1,0,0,0,0,1|0,1,1]=4 1285 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [1,0,0,0,0,1|1,0,1]=4 1286 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [1,0,0,0,0,1|1,0,1]=4 1287 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [1,0,0,0,0,1|1,0,1]=4 1288 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [1,0,0,0,0,1|2,0,0]=4 1289 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [1,0,0,0,0,1|2,0,0]=4 1290 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [1,0,0,0,0,1|2,0,0]=4 1291 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [1,0,0,0,0,1|2,0,0]=4 1292 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [1,0,0,0,0,1|2,0,0]=4 1293 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [1,0,0,0,0,1|1,0,1]=4 1294 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [1,0,0,0,0,1|1,0,1]=4 1295 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [1,0,0,0,0,1|0,0,2]=4 1296 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,1|1,0,1]=4 1297 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,1|1,0,1]=4 1298 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,1|1,0,1]=4 1299 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,1|1,0,1]=4 1300 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|1,0,1]=4 1301 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|1,0,1]=4 1302 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,1|1,0,1]=4 1303 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,1|1,0,1]=4 1304 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,1|1,0,1]=4 1305 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,1|1,0,1]=4 1306 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,1|1,0,1]=4 1307 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,1|1,0,1]=4 1308 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,1|2,0,0]=4 1309 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,1|2,0,0]=4 1310 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,1|2,0,0]=4 1311 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,1|2,0,0]=4 1312 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,1|2,0,0]=4 1313 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,1|2,0,0]=4 1314 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,1|1,0,1]=4 1315 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,1|1,0,1]=4 1316 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,1|1,0,1]=4 1317 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,1|1,0,1]=4 1318 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|1,0,1]=4 1319 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,1|1,0,1]=4 1320 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,1|1,0,1]=4 1321 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,1|1,0,1]=4 1322 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,1|2,0,0]=4 1323 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,1|2,0,0]=4 1324 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,1|2,0,0]=4 1325 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,1|2,0,0]=4 1326 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,1|2,0,0]=4 1327 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,1|2,0,0]=4 1328 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [1,0,0,0,0,1|1,0,1]=4 1329 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [1,0,0,0,0,1|1,0,1]=4 1330 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [1,0,0,0,0,1|1,0,1]=4 1331 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [1,0,0,0,0,1|1,0,1]=4 1332 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [1,0,0,0,0,1|1,0,1]=4 1333 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [1,0,0,0,0,1|2,0,0]=4 1334 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [1,0,0,0,0,1|2,0,0]=4 1335 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [1,0,0,0,0,1|0,1,1]=4 1336 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [1,0,0,0,0,1|0,1,1]=4 1337 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [1,0,0,0,0,1|0,0,1]=3 1338 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [1,0,0,0,0,1|0,0,1]=3 1339 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [1,0,0,0,0,1|0,1,1]=4 1340 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [1,0,0,0,0,1|0,1,1]=4 1341 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [1,0,0,0,0,1|1,0,1]=4 1342 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [1,0,0,0,0,1|1,0,1]=4 1343 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [1,0,0,0,0,1|1,0,1]=4 1344 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [1,0,0,0,0,1|1,0,1]=4 1345 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [1,0,0,0,0,1|1,0,1]=4 1346 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [1,0,0,0,0,1|0,0,1]=3 1347 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [1,0,0,0,0,1|0,0,1]=3 1348 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [1,0,0,0,0,1|0,0,1]=3 1349 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [1,0,0,0,0,1|0,0,1]=3 1350 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [1,0,0,0,0,1|0,1,1]=4 1351 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [1,0,0,0,0,1|0,1,1]=4 1352 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [1,0,0,0,0,1|0,1,1]=4 1353 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [1,0,0,0,0,1|0,1,1]=4 1354 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [1,0,0,0,0,1|2,0,0]=4 1355 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [1,0,0,0,0,1|1,0,0]=3 1356 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [1,0,0,0,0,1|1,1,0]=4 1357 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [1,0,0,0,0,1|2,0,0]=4 1358 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [1,0,0,0,0,1|2,0,0]=4 1359 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [1,0,0,0,0,1|1,0,0]=3 1360 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [1,0,0,0,0,1|1,0,0]=3 1361 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [1,0,0,0,0,1|1,1,0]=4 1362 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [1,0,0,0,0,1|1,1,0]=4 1363 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [1,0,0,0,0,1|2,0,0]=4 1364 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [1,0,0,0,0,1|2,0,0]=4 1365 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [1,0,0,0,0,1|2,0,0]=4 1366 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [1,0,0,0,0,1|2,0,0]=4 1367 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [1,0,0,0,0,1|1,0,1]=4 1368 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [1,0,0,0,0,1|2,0,0]=4 1369 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [1,0,0,0,0,1|1,0,1]=4 1370 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [1,0,0,0,0,1|1,0,1]=4 1371 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [1,0,0,0,0,1|1,0,1]=4 1372 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [1,0,0,0,0,1|1,0,1]=4 1373 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [1,0,0,0,0,1|1,0,1]=4 1374 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [1,0,0,0,0,1|1,0,1]=4 1375 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [1,0,0,0,0,1|1,0,1]=4 1376 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [1,0,0,0,0,1|0,1,1]=4 1377 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,1,1|2,0,0]=4 1378 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,1,1|2,0,0]=4 1379 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,0,0,0,0,2|2,0,0]=4 1380 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1381 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1382 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1383 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1384 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,0,0,0,0,2|2,0,0]=4 1385 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,0,2|1,0,0]=3 1386 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,0,2|1,0,0]=3 1387 B13R1.45 CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_200000210301 [0,0,0,0,0,2|1,0,0]=3 1388 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,0,2|1,0,0]=3 1389 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,0,0,0,0,2|1,1,0]=4 1390 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,0,0,0,2|2,0,0]=4 1391 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,0,0,0,2|2,0,0]=4 1392 B13R1.45 CC(=O)NNC(=O)c1ccccn1 22a_100000184044_100000070787 [0,0,0,0,0,2|2,0,0]=4 1393 B13R1.45 CC(=O)NNC(=O)c1cccnc1 22a_100000189771_100000070787 [0,0,0,0,0,2|2,0,0]=4 1394 B13R1.45 CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000070787 [0,0,0,0,0,2|2,0,0]=4 1395 B13R1.45 CC(=O)NNC(=O)c1ccncn1 22a_100000084330_100000070787 [0,0,0,0,0,2|2,0,0]=4 1396 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,0,0,0,2|2,0,0]=4 1397 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,0,0,0,2|2,0,0]=4 1398 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,0,0,0,2|2,0,0]=4 1399 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,0,2|1,0,0]=3 1400 B13R1.45 [13CH3]C(=O)CNC(=O)c1cccnc1 1458a_100000688122_200025704644 [0,0,0,0,0,2|1,0,0]=3 1401 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,0,0,0,0,2|1,1,0]=4 1402 B13R1.342 C=C(C)C=NNC(=O)c1ccco1 4a_100000185077_100000210575 [0,0,0,0,0,2|1,0,1]=4 1403 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_100000748629_200011262396 [0,0,0,0,0,2|2,0,0]=4 1404 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000211660 [0,0,0,0,0,2|2,0,0]=4 1405 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000211439_100000211660 [0,0,0,0,0,2|1,0,0]=3 1406 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000748629_100000211439 [0,0,0,0,0,2|1,0,0]=3 1407 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000211436_100000211660 [0,0,0,0,0,2|1,1,0]=4 1408 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000748629_100000211436 [0,0,0,0,0,2|1,1,0]=4 1409 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000042424_100000211439 [0,0,0,0,0,2|1,0,1]=4 1410 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000211439_100000042424 [0,0,0,0,0,2|1,0,1]=4 1411 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)[13CH3] 1458a_100009924236_200025704644 [0,0,0,0,0,2|2,0,0]=4 1412 B13R1.342 CC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_200000210301 [0,0,0,0,0,2|2,0,0]=4 1413 B13R1.342 CC(=O)CCNC(=O)c1ccco1 1458a_100000184273_200000210301 [0,0,0,0,0,2|0,0,0]=2 1414 B13R1.342 CC(=O)CCNC(=O)c1cccs1 1458a_100000195306_200000210301 [0,0,0,0,0,2|0,1,0]=3 1415 B13R1.342 CC(=O)CCNC(=O)c1ccsc1 1458a_100000230188_200000210301 [0,0,0,0,0,2|2,0,0]=4 1416 B13R1.342 CC(=O)CCNC(=O)n1cccn1 1458a_100000070787_100000070358 [0,0,0,0,0,2|2,0,0]=4 1417 B13R1.342 CC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000053229 [0,0,0,0,0,2|1,0,1]=4 1418 B13R1.342 CC(=O)COCC(=O)c1ccsc1 34a_100000211253_100011219462 [0,0,0,0,0,2|2,0,0]=4 1419 B13R1.342 CC(=O)OCO[C@@H](C)c1ccco1 34a_100000755270_100009813279 [0,0,0,0,0,2|1,0,1]=4 1420 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000210624_100000211439 [0,0,0,0,0,2|1,0,1]=4 1421 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000211439_100000210760 [0,0,0,0,0,2|1,0,1]=4 1422 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218427 [0,0,0,0,0,2|0,0,2]=4 1423 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100011218427_100000211439 [0,0,0,0,0,2|0,0,2]=4 1424 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100000211439_100009817552 [0,0,0,0,0,2|0,0,2]=4 1425 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100009817552_100000211439 [0,0,0,0,0,2|0,0,2]=4 1426 B13R1.342 NC(=O)CNCC(=O)c1cccs1 2230a_100000711301_100000211436 [0,0,0,0,0,2|1,1,0]=4 1427 B13R1.342 NC(=O)CSCC(=O)c1ccc[nH]1 62a_100000747473_200011262396 [0,0,0,0,0,2|2,0,0]=4 1428 B13R1.342 NC(=O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000747473 [0,0,0,0,0,2|2,0,0]=4 1429 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747473 [0,0,0,0,0,2|1,0,0]=3 1430 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000747473_100000211439 [0,0,0,0,0,2|1,0,0]=3 1431 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000211436_100000747473 [0,0,0,0,0,2|1,1,0]=4 1432 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000747473_100000211436 [0,0,0,0,0,2|1,1,0]=4 1433 B13R1.342 O=C(CSC[N+](=O)[O-])c1ccco1 62a_100000211439_100000761209 [0,0,0,0,0,2|2,0,0]=4 1434 B13R1.342 O=C(O)CNCC(=O)c1ccc[nH]1 269956a_100016091260_200011262396 [0,0,0,0,0,2|2,0,0]=4 1435 B13R1.342 O=C(O)CNCC(=O)c1ccco1 269956a_100016091260_100000211439 [0,0,0,0,0,2|1,0,0]=3 1436 B13R1.342 O=C(O)CNCC(=O)c1cccs1 269956a_100016091260_100000211436 [0,0,0,0,0,2|1,1,0]=4 1437 B13R1.342 O=C([O-])CSCC(=O)c1ccc[nH]1 62a_100020667443_200011262396 [0,0,0,0,0,2|2,0,0]=4 1438 B13R1.342 O=C([O-])CSCC(=O)c1ccc[nH]1 62a_200011262396_100020667443 [0,0,0,0,0,2|2,0,0]=4 1439 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100000211439_100020667443 [0,0,0,0,0,2|1,0,0]=3 1440 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100020667443_100000211439 [0,0,0,0,0,2|1,0,0]=3 1441 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100000211436_100020667443 [0,0,0,0,0,2|1,1,0]=4 1442 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100020667443_100000211436 [0,0,0,0,0,2|1,1,0]=4 1443 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccco1 1458a_100000184273_200025704644 [0,0,0,0,0,2|0,0,0]=2 1444 B13R1.342 [13CH3]C(=O)CCNC(=O)c1cccs1 1458a_100000195306_200025704644 [0,0,0,0,0,2|0,1,0]=3 1445 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccsc1 1458a_100000230188_200025704644 [0,0,0,0,0,2|2,0,0]=4 1446 B13R1.344 C=C(C)CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000730704 [0,0,0,0,0,2|2,0,0]=4 1447 B13R1.344 C=C(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000730704 [0,0,0,0,0,2|1,0,0]=3 1448 B13R1.344 C=C(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000730704 [0,0,0,0,0,2|1,1,0]=4 1449 B13R1.344 C=C(C)CCC(=O)Cc1ncco1 1458a_200000688413_103436540062 [0,0,0,0,0,2|2,0,0]=4 1450 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 11a_100000765925_100000238377 [0,0,0,0,0,2|2,0,0]=4 1451 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 240690a_100000765925_100000238377 [0,0,0,0,0,2|2,0,0]=4 1452 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 527a_100000765925_100000238377 [0,0,0,0,0,2|2,0,0]=4 1453 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 11a_100000765925_100011217309 [0,0,0,0,0,2|1,0,0]=3 1454 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 527a_100000765925_100011217309 [0,0,0,0,0,2|1,0,0]=3 1455 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 11a_100000765925_100000210189 [0,0,0,0,0,2|1,1,0]=4 1456 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 1626a_100000765925_100000210189 [0,0,0,0,0,2|1,1,0]=4 1457 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 240690a_100000765925_100000210189 [0,0,0,0,0,2|1,1,0]=4 1458 B13R1.344 CC(=CCC(=O)Cc1ccc[nH]1)C 1458a_100000238377_100000761012 [0,0,0,0,0,2|2,0,0]=4 1459 B13R1.344 CC(=CCC(=O)Cc1ccco1)C 1458a_100011217309_100000761012 [0,0,0,0,0,2|1,0,0]=3 1460 B13R1.344 CC(=CCC(=O)Cc1cccs1)C 1458a_100000210189_100000761012 [0,0,0,0,0,2|1,1,0]=4 1461 B13R1.344 CC(=CCC(=O)Cc1ncco1)C 1458a_100011220947_103436540062 [0,0,0,0,0,2|2,0,0]=4 1462 B13R1.344 CC(=O)CCC(=O)Nc1nccs1 1458a_100000181887_200000210301 [0,0,0,0,0,2|1,1,0]=4 1463 B13R1.344 CC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000053229 [0,0,0,0,0,2|2,0,0]=4 1464 B13R1.344 CC(=O)NCC(=O)Cc1c[nH]cn1 1458a_100000194580_100000707719 [0,0,0,0,0,2|2,0,0]=4 1465 B13R1.344 CC(=O)NCC(=O)Cc1ccn[nH]1 1458a_100000194580_100000728653 [0,0,0,0,0,2|2,0,0]=4 1466 B13R1.344 CC(=O)NCC(=O)Cc1ccon1 1458a_100000194580_100000234950 [0,0,0,0,0,2|2,0,0]=4 1467 B13R1.344 CC(=O)NCC(=O)Cc1ccsc1 1458a_100000194580_100011233845 [0,0,0,0,0,2|2,0,0]=4 1468 B13R1.344 CC(=O)NCC(=O)Cc1cncs1 1458a_100000194580_100015185245 [0,0,0,0,0,2|1,1,0]=4 1469 B13R1.344 CC(=O)NCC(=O)Cc1cscn1 1458a_100000194580_100000205941 [0,0,0,0,0,2|2,0,0]=4 1470 B13R1.344 CC(=O)NCC(=O)Cc1ncco1 1458a_100000194580_103436540062 [0,0,0,0,0,2|1,0,0]=3 1471 B13R1.344 CC(=O)NCC(=O)Cc1nccs1 1458a_100000194580_100015184050 [0,0,0,0,0,2|1,1,0]=4 1472 B13R1.344 CC(=O)NCC(=O)Nc1nccs1 1626a_100000743747_100015343762 [0,0,0,0,0,2|1,1,0]=4 1473 B13R1.344 CC(=O)NCC(=O)Nc1nccs1 240690a_100000743747_100015343762 [0,0,0,0,0,2|1,1,0]=4 1474 B13R1.344 CC(=O)NCC(=O)Nc1nccs1 527a_100000743747_100103153847 [0,0,0,0,0,2|1,1,0]=4 1475 B13R1.344 CC(=O)NNC(=O)Cc1ccc[nH]1 22a_100000189765_100000238377 [0,0,0,0,0,2|2,0,0]=4 1476 B13R1.344 CC(=O)NNC(=O)Cc1ccco1 22a_100000189765_100011217309 [0,0,0,0,0,2|1,0,0]=3 1477 B13R1.344 CC(=O)NNC(=O)Cc1cccs1 22a_100000189765_100000210189 [0,0,0,0,0,2|1,1,0]=4 1478 B13R1.344 CC(=O)NNC(=O)Cc1cccs1 22a_100000189772_100000070787 [0,0,0,0,0,2|1,1,0]=4 1479 B13R1.344 CC(=O)OCC(=O)Cc1c[nH]cn1 1458a_100000183556_100000707719 [0,0,0,0,0,2|2,0,0]=4 1480 B13R1.344 CC(=O)OCC(=O)Cc1ccn[nH]1 1458a_100000183556_100000728653 [0,0,0,0,0,2|2,0,0]=4 1481 B13R1.344 CC(=O)OCC(=O)Cc1ccon1 1458a_100000183556_100000234950 [0,0,0,0,0,2|2,0,0]=4 1482 B13R1.344 CC(=O)OCC(=O)Cc1ccsc1 1458a_100000183556_100011233845 [0,0,0,0,0,2|2,0,0]=4 1483 B13R1.344 CC(=O)OCC(=O)Cc1cncs1 1458a_100000183556_100015185245 [0,0,0,0,0,2|1,1,0]=4 1484 B13R1.344 CC(=O)OCC(=O)Cc1cscn1 1458a_100000183556_100000205941 [0,0,0,0,0,2|2,0,0]=4 1485 B13R1.344 CC(=O)OCC(=O)Cc1ncco1 1458a_100000183556_103436540062 [0,0,0,0,0,2|1,0,0]=3 1486 B13R1.344 CC(=O)OCC(=O)Cc1nccs1 1458a_100000183556_100015184050 [0,0,0,0,0,2|1,1,0]=4 1487 B13R1.344 CC(=O)OCN(C)Cc1ccco1 269982a_100000185268_100000076356 [0,0,0,0,0,2|2,0,0]=4 1488 B13R1.344 CC(=O)SCC(=O)Cc1c[nH]cn1 1458a_100000049016_100000707719 [0,0,0,0,0,2|2,0,0]=4 1489 B13R1.344 CC(=O)SCC(=O)Cc1ccn[nH]1 1458a_100000049016_100000728653 [0,0,0,0,0,2|2,0,0]=4 1490 B13R1.344 CC(=O)SCC(=O)Cc1ccon1 1458a_100000049016_100000234950 [0,0,0,0,0,2|2,0,0]=4 1491 B13R1.344 CC(=O)SCC(=O)Cc1ccsc1 1458a_100000049016_100011233845 [0,0,0,0,0,2|2,0,0]=4 1492 B13R1.344 CC(=O)SCC(=O)Cc1cncs1 1458a_100000049016_100015185245 [0,0,0,0,0,2|1,1,0]=4 1493 B13R1.344 CC(=O)SCC(=O)Cc1cscn1 1458a_100000049016_100000205941 [0,0,0,0,0,2|2,0,0]=4 1494 B13R1.344 CC(=O)SCC(=O)Cc1ncco1 1458a_100000049016_103436540062 [0,0,0,0,0,2|1,0,0]=3 1495 B13R1.344 CC(=O)SCC(=O)Cc1nccs1 1458a_100000049016_100015184050 [0,0,0,0,0,2|1,1,0]=4 1496 B13R1.344 CC(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000210312 [0,0,0,0,0,2|1,0,1]=4 1497 B13R1.344 CC(C)CNC(=O)Cc1ccco1 11a_100000210953_100011217309 [0,0,0,0,0,2|1,0,1]=4 1498 B13R1.344 CC(C)CNC(=O)Cc1ccco1 527a_100000210953_100011217309 [0,0,0,0,0,2|1,0,1]=4 1499 B13R1.344 CC(O)CCC(=O)Cc1ccco1 1458a_100011217309_100012276601 [0,0,0,0,0,2|0,0,2]=4 1500 B13R1.344 CC(O)CNC(=O)Cc1ccco1 11a_100000210904_100011217309 [0,0,0,0,0,2|0,0,2]=4 1501 B13R1.344 CC(O)CNC(=O)Cc1ccco1 527a_100000210904_100011217309 [0,0,0,0,0,2|0,0,2]=4 1502 B13R1.344 NC(=O)CCC(=O)Cc1ncco1 1458a_100011215257_103436540062 [0,0,0,0,0,2|2,0,0]=4 1503 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 11a_100000711301_100000238377 [0,0,0,0,0,2|2,0,0]=4 1504 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 240690a_100000711301_100000238377 [0,0,0,0,0,2|2,0,0]=4 1505 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 527a_100000711301_100000238377 [0,0,0,0,0,2|2,0,0]=4 1506 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 11a_100000711301_100011217309 [0,0,0,0,0,2|1,0,0]=3 1507 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 527a_100000711301_100011217309 [0,0,0,0,0,2|1,0,0]=3 1508 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 11a_100000711301_100000210189 [0,0,0,0,0,2|1,1,0]=4 1509 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 240690a_100000711301_100000210189 [0,0,0,0,0,2|1,1,0]=4 1510 B13R1.344 NC(=O)NCC(=O)Cc1ncco1 1458a_100000184981_103436540062 [0,0,0,0,0,2|2,0,0]=4 1511 B13R1.344 [13CH3]C(=O)CCC(=O)Nc1nccs1 1458a_100000181887_200025704644 [0,0,0,0,0,2|1,1,0]=4 1512 B13R1.348 C=C(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000748629 [0,0,0,0,0,2|2,0,0]=4 1513 B13R1.348 C=C(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000748629 [0,0,0,0,0,2|2,0,0]=4 1514 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,0,2|1,0,0]=3 1515 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,0,0,0,2|1,0,0]=3 1516 B13R1.348 CC(=O)CC(=O)Nc1ccccn1 1458a_100000070787_100020662008 [0,0,0,0,0,2|1,0,0]=3 1517 B13R1.348 CC(=O)CC(=O)Nc1ccncc1 1458a_100000070787_100000754145 [0,0,0,0,0,2|1,0,0]=3 1518 B13R1.348 CC(=O)CC(=O)Nc1ncccn1 1458a_100000070787_100000183248 [0,0,0,0,0,2|1,0,0]=3 1519 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,0,0,0,2|1,0,0]=3 1520 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,0,0,0,2|2,0,0]=4 1521 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [0,0,0,0,0,2|2,0,0]=4 1522 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [0,0,0,0,0,2|2,0,0]=4 1523 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [0,0,0,0,0,2|2,0,0]=4 1524 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [0,0,0,0,0,2|2,0,0]=4 1525 B13R1.348 NC(=O)CC(=O)Cc1cccnn1 1458a_100134613110_100016990269 [0,0,0,0,0,2|2,0,0]=4 1526 B13R1.348 NC(=O)CC(=O)Cc1ccncc1 1458a_100134613110_100000705612 [0,0,0,0,0,2|2,0,0]=4 1527 B13R1.348 NC(=O)CC(=O)Cc1cnccn1 1458a_100134613110_100016995436 [0,0,0,0,0,2|2,0,0]=4 1528 B13R1.348 NC(=O)CC(=O)Cc1ncccn1 1458a_100134613110_100000703007 [0,0,0,0,0,2|2,0,0]=4 1529 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,0,0,0,2|2,0,0]=4 1530 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,0,0,0,2|2,0,0]=4 1531 B13R1.348 O=C([O-])CC(=O)Cc1ccccn1 1458a_100000233486_100020667443 [0,0,0,0,0,2|2,0,0]=4 1532 B13R1.348 O=C([O-])CC(=O)Cc1cccnc1 1458a_100000737805_100020667443 [0,0,0,0,0,2|2,0,0]=4 1533 B13R1.593 C=C(C)CC(=O)C=Cc1cccs1 1458a_100000182767_100000748629 [0,0,0,0,0,2|1,1,0]=4 1534 B13R1.593 C=C(C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000748629 [0,0,0,0,0,2|2,0,0]=4 1535 B13R1.593 C=C(C)CC(=O)CCc1ccco1 1458a_100000185103_100000748629 [0,0,0,0,0,2|1,0,0]=3 1536 B13R1.593 C=C(C)CC(=O)CCc1cccs1 1458a_100000185280_100000748629 [0,0,0,0,0,2|1,1,0]=4 1537 B13R1.593 C=C(F)CC(=O)CCc1ccco1 1458a_100000185103_100009893438 [0,0,0,0,0,2|1,0,1]=4 1538 B13R1.593 CC(=CC(=O)NCc1ccco1)C 11a_100000185738_100000211388 [0,0,0,0,0,2|1,0,1]=4 1539 B13R1.593 CC(=CC(=O)NCc1ccco1)C 1626a_100000185738_100000211388 [0,0,0,0,0,2|1,0,1]=4 1540 B13R1.593 CC(=CC(=O)NCc1ccco1)C 240690a_100000185738_100000211388 [0,0,0,0,0,2|1,0,1]=4 1541 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 11a_100000185738_200042562850 [0,0,0,0,0,2|1,0,1]=4 1542 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 1626a_100000185738_200042562850 [0,0,0,0,0,2|1,0,1]=4 1543 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 240690a_100000185738_200042562850 [0,0,0,0,0,2|1,0,1]=4 1544 B13R1.593 CC(=CC(=O)NCc1ccco1)I 11a_100000185738_100025716642 [0,0,0,0,0,2|1,0,1]=4 1545 B13R1.593 CC(=CC(=O)NCc1ccco1)I 1626a_100000185738_100025716642 [0,0,0,0,0,2|1,0,1]=4 1546 B13R1.593 CC(=O)CC(=O)NCc1ccco1 1458a_100000070787_100000183421 [0,0,0,0,0,2|0,0,0]=2 1547 B13R1.593 CC(=O)CC(=O)NCc1cccs1 1458a_100000070787_100000182718 [0,0,0,0,0,2|0,1,0]=3 1548 B13R1.593 CC(=O)NC(=O)CSc1ccco1 62a_100009814098_100000183797 [0,0,0,0,0,2|1,0,0]=3 1549 B13R1.593 CC(=O)NC(=O)CSc1cccs1 62a_100011215356_100000183797 [0,0,0,0,0,2|1,1,0]=4 1550 B13R1.593 CC(=O)NC(=O)CSc1cnco1 62a_100020591547_100000183797 [0,0,0,0,0,2|2,0,0]=4 1551 B13R1.593 CC(=O)NC(=O)CSc1ncco1 62a_100011787736_100000183797 [0,0,0,0,0,2|2,0,0]=4 1552 B13R1.593 CC(C)CC(=O)CCc1ccco1 1458a_100000185103_100000210624 [0,0,0,0,0,2|1,0,1]=4 1553 B13R1.593 CC(C)CC(=O)NCc1ccco1 11a_100000185738_100000210554 [0,0,0,0,0,2|1,0,1]=4 1554 B13R1.593 CC(C)CC(=O)NCc1ccco1 1626a_100000185738_100000210554 [0,0,0,0,0,2|1,0,1]=4 1555 B13R1.593 CC(C)CC(=O)NCc1ccco1 240690a_100000185738_100000210554 [0,0,0,0,0,2|1,0,1]=4 1556 B13R1.593 CC(C)CC(=O)NCc1ccco1 527a_100000185738_100000210554 [0,0,0,0,0,2|1,0,1]=4 1557 B13R1.593 CC(O)CC(=O)CCc1ccco1 1458a_100000185103_100011218427 [0,0,0,0,0,2|0,0,2]=4 1558 B13R1.593 CN(C)CC(=O)NCc1ccco1 11a_100000185738_100000750896 [0,0,0,0,0,2|2,0,0]=4 1559 B13R1.593 CN(C)CC(=O)NCc1ccco1 2230a_100102631434_100000183421 [0,0,0,0,0,2|2,0,0]=4 1560 B13R1.593 CN(C)CC(=O)NCc1ccco1 240690a_100000185738_100000750896 [0,0,0,0,0,2|2,0,0]=4 1561 B13R1.593 CN(C)CC(=O)NCc1ccco1 269982a_100102631434_100000183421 [0,0,0,0,0,2|2,0,0]=4 1562 B13R1.593 CN(C)CC(=O)NCc1ccco1 527a_100000185738_100000750896 [0,0,0,0,0,2|2,0,0]=4 1563 B13R1.593 C[C@@H](O)CC(=O)NCc1ccco1 240690a_100000185738_100011933948 [0,0,0,0,0,2|0,0,2]=4 1564 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 11a_100000185738_200159257847 [0,0,0,0,0,2|2,0,0]=4 1565 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 1626a_100000185738_200159257847 [0,0,0,0,0,2|2,0,0]=4 1566 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 240690a_100000185738_200159257847 [0,0,0,0,0,2|2,0,0]=4 1567 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 527a_100000185738_200159257847 [0,0,0,0,0,2|2,0,0]=4 1568 B13R1.593 NC(=O)CC(=O)C=Cc1cccs1 1458a_100000182767_100000187820 [0,0,0,0,0,2|1,1,0]=4 1569 B13R1.593 NC(=O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000187820 [0,0,0,0,0,2|2,0,0]=4 1570 B13R1.593 NC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000187820 [0,0,0,0,0,2|1,0,0]=3 1571 B13R1.593 NC(=O)CC(=O)CCc1cccs1 1458a_100000185280_100000187820 [0,0,0,0,0,2|1,1,0]=4 1572 B13R1.593 NC(=O)CC(=O)CCc1cccs1 1458a_100134613110_100000748579 [0,0,0,0,0,2|1,1,0]=4 1573 B13R1.593 NC(=O)CC(=O)NCc1ccc[nH]1 240690a_100000764082_100134613110 [0,0,0,0,0,2|2,0,0]=4 1574 B13R1.593 NC(=O)CC(=O)NCc1ccc[nH]1 527a_100000764082_100134613110 [0,0,0,0,0,2|2,0,0]=4 1575 B13R1.593 NC(=O)CC(=O)NCc1ccco1 240690a_100000185738_100134613110 [0,0,0,0,0,2|1,0,0]=3 1576 B13R1.593 NC(=O)CC(=O)NCc1ccco1 527a_100000185738_100134613110 [0,0,0,0,0,2|1,0,0]=3 1577 B13R1.593 NC(=O)CC(=O)NCc1cccs1 240690a_100000211653_100134613110 [0,0,0,0,0,2|1,1,0]=4 1578 B13R1.593 NC(=O)CC(=O)NCc1cccs1 527a_100000211653_100134613110 [0,0,0,0,0,2|1,1,0]=4 1579 B13R1.593 NC(=O)CC(=O)NCc1cnco1 240690a_100020634212_100134613110 [0,0,0,0,0,2|2,0,0]=4 1580 B13R1.593 NC(=O)CC(=O)NCc1cnco1 527a_100020634212_100134613110 [0,0,0,0,0,2|2,0,0]=4 1581 B13R1.593 NC(=O)CC(=O)NCc1ncco1 240690a_100016994969_100134613110 [0,0,0,0,0,2|2,0,0]=4 1582 B13R1.593 NC(=O)CC(=O)NCc1ncco1 527a_100016994969_100134613110 [0,0,0,0,0,2|2,0,0]=4 1583 B13R1.593 NC(=O)NC(=O)CSc1ccco1 62a_100009814098_100000182717 [0,0,0,0,0,2|2,0,0]=4 1584 B13R1.593 O=C(CCc1ccco1)C[N+](=O)[O-] 1458a_100000185103_100000761209 [0,0,0,0,0,2|2,0,0]=4 1585 B13R1.593 O=C([O-])CC(=O)C=Cc1cccs1 1458a_100000182767_100020667443 [0,0,0,0,0,2|1,1,0]=4 1586 B13R1.593 O=C([O-])CC(=O)CCc1ccc[nH]1 1458a_200011998680_100020667443 [0,0,0,0,0,2|2,0,0]=4 1587 B13R1.593 O=C([O-])CC(=O)CCc1ccco1 1458a_100000185103_100020667443 [0,0,0,0,0,2|1,0,0]=3 1588 B13R1.593 O=C([O-])CC(=O)CCc1cccs1 1458a_100000185280_100020667443 [0,0,0,0,0,2|1,1,0]=4