0 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [0,0,0,0,0,0|0,0,4]=4 1 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.342 Cc1cccc2c1ncnc2O 271570a_203496583355_100000751292 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.342 O=C1CCCc2c1cncc2O 271570a_203496583355_100010870523 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.342 O=C1CCNc2c1cccc2O 271570a_203496583355_115082355814 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.342 O=C1CCSc2c1cccc2O 271570a_203496583355_100011271337 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,0,0,0,0,0|1,0,2]=3 11 B13R2.342 O=c1[nH]cnc2c1cncc2O 271570a_203496583355_200010117198 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [1,0,0,0,0,0|1,0,1]=3 19 B14R2.1078 C=Cc1cccc2c1CCCC2=O 271570a_100011290941_100000691372 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.1078 C=Cc1cccc2c1CCNC2=O 271570a_100011290941_100000695023 [0,1,0,0,0,0|0,0,1]=2 21 B14R2.1078 C=Cc1cccc2c1NCCC2=O 271570a_100011290941_115082355814 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.1078 C=Cc1cccc2c1OCCC2=O 271570a_100011290941_100000744318 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.1078 C=Cc1cccc2c1SCCC2=O 271570a_100011290941_100011271337 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.1078 C=Cc1cccc2c1cc[nH]c2=O 271570a_100011290941_100000703947 [0,1,0,0,0,0|0,0,3]=4 25 B14R2.1078 C=Cc1cncc2c1CCCC2=O 271570a_100011290941_100010870523 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.1078 CN1CCCc2c1cccc2N[13CH3] 34a_100011385289_200025704644 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.1078 CNc1cccc2c1CCCN2C 34a_100011385289_200000210301 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.1078 CNc1cccc2c1nc[nH]c2=O 27a_100102657272_100000741247 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.1078 CNc1cncc2c1nc[nH]c2=O 27a_100102657272_200010117198 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.1078 COc1cccc2c1CCCC2=O 34a_100000763485_200000210301 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.1078 COc1cccc2c1CCCC2=O 7a_100000763485_200000210301 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.1078 COc1cccc2c1CCCC2O 7a_100000212338_200000210301 [0,1,0,0,0,0|1,0,2]=4 33 B14R2.1078 COc1cccc2c1CCNC2=O 34a_100000079299_200000210301 [0,1,0,0,0,0|0,0,0]=1 34 B14R2.1078 COc1cccc2c1CCNC2=O 7a_100000079299_200000210301 [0,1,0,0,0,0|0,0,0]=1 35 B14R2.1078 COc1cccc2c1OCCC2=O 34a_100009867664_200000210301 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.1078 COc1cccc2c1OCCC2=O 7a_100009867664_200000210301 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.1078 CSc1cccc2c1CCCC2=O 62a_100000691372_200000210301 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.1078 CSc1cccc2c1CCCC2=O 62a_200000210301_100000691372 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.1078 CSc1cccc2c1CCCC2N 62a_100020639248_200000210301 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.1078 CSc1cccc2c1CCCC2N 62a_200000210301_100020639248 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.1078 CSc1cccc2c1CCCC2O 62a_100009815610_200000210301 [0,1,0,0,0,0|1,0,2]=4 42 B14R2.1078 CSc1cccc2c1CCCC2O 62a_200000210301_100009815610 [0,1,0,0,0,0|1,0,2]=4 43 B14R2.1078 CSc1cccc2c1CCNC2=O 62a_100000695023_200000210301 [0,1,0,0,0,0|0,0,0]=1 44 B14R2.1078 CSc1cccc2c1CCNC2=O 62a_200000210301_100000695023 [0,1,0,0,0,0|0,0,0]=1 45 B14R2.1078 CSc1cccc2c1NCCC2=O 62a_115082355814_200000210301 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.1078 CSc1cccc2c1NCCC2=O 62a_200000210301_115082355814 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.1078 CSc1cccc2c1OCCC2=O 62a_100000744318_200000210301 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.1078 CSc1cccc2c1OCCC2=O 62a_200000210301_100000744318 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.1078 CSc1cccc2c1SCCC2=O 62a_100011271337_200000210301 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.1078 CSc1cccc2c1SCCC2=O 62a_200000210301_100011271337 [0,1,0,0,0,0|2,0,0]=3 51 B14R2.1078 CSc1cccc2c1cc[nH]c2=O 62a_200000210301_100000703947 [0,1,0,0,0,0|0,0,2]=3 52 B14R2.1078 CSc1cncc2c1CCCC2=O 62a_100010870523_200000210301 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.1078 CSc1cncc2c1CCCC2=O 62a_200000210301_100010870523 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.1078 CSc1cncc2c1nc[nH]c2=O 62a_200000210301_200010117198 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2=O 34a_100000763485_200025704644 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2=O 7a_100000763485_200025704644 [0,1,0,0,0,0|1,0,0]=2 57 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2O 7a_100000212338_200025704644 [0,1,0,0,0,0|1,0,2]=4 58 B14R2.1078 [13CH3]Oc1cccc2c1CCNC2=O 34a_100000079299_200025704644 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.1078 [13CH3]Oc1cccc2c1CCNC2=O 7a_100000079299_200025704644 [0,1,0,0,0,0|0,0,0]=1 60 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 34a_100009867664_200025704644 [0,1,0,0,0,0|2,0,0]=3 61 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 7a_100009867664_200025704644 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2=O 62a_100000691372_200025704644 [0,1,0,0,0,0|1,0,0]=2 63 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2=O 62a_200025704644_100000691372 [0,1,0,0,0,0|1,0,0]=2 64 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2N 62a_100020639248_200025704644 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2N 62a_200025704644_100020639248 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_100009815610_200025704644 [0,1,0,0,0,0|1,0,2]=4 67 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_200025704644_100009815610 [0,1,0,0,0,0|1,0,2]=4 68 B14R2.1078 [13CH3]Sc1cccc2c1CCNC2=O 62a_100000695023_200025704644 [0,1,0,0,0,0|0,0,0]=1 69 B14R2.1078 [13CH3]Sc1cccc2c1CCNC2=O 62a_200025704644_100000695023 [0,1,0,0,0,0|0,0,0]=1 70 B14R2.1078 [13CH3]Sc1cccc2c1NCCC2=O 62a_115082355814_200025704644 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.1078 [13CH3]Sc1cccc2c1NCCC2=O 62a_200025704644_115082355814 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.1078 [13CH3]Sc1cccc2c1OCCC2=O 62a_100000744318_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.1078 [13CH3]Sc1cccc2c1OCCC2=O 62a_200025704644_100000744318 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.1078 [13CH3]Sc1cccc2c1SCCC2=O 62a_100011271337_200025704644 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.1078 [13CH3]Sc1cccc2c1SCCC2=O 62a_200025704644_100011271337 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.1078 [13CH3]Sc1cccc2c1cc[nH]c2=O 62a_200025704644_100000703947 [0,1,0,0,0,0|0,0,2]=3 77 B14R2.1078 [13CH3]Sc1cncc2c1CCCC2=O 62a_100010870523_200025704644 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.1078 [13CH3]Sc1cncc2c1CCCC2=O 62a_200025704644_100010870523 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.1078 [13CH3]Sc1cncc2c1nc[nH]c2=O 62a_200025704644_200010117198 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.8038 CN1CCc2c(cccc2C1=O)O 271570a_203496583355_100010269134 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.8038 O=C1CCOc2c1ccc(c2F)O 271570a_203496583355_100010239884 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.8045 Cc1cc(cc2c1OCCC2=O)O 271570a_203496583355_200011825875 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.8045 Nc1nc2c(cccc2c(=O)[nH]1)O 271570a_203496583355_100010142784 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.8045 O=C1CCCc2c1cc(cc2F)O 271570a_203496583355_100010133405 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.8045 O=C1CCOc2c1cc(cc2F)O 271570a_203496583355_200000760213 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8045 O=C1CCOc2c1cc(cc2O)F 271570a_203496583355_100011265747 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8045 O=C1NCCc2c1cc(cc2F)O 271570a_203496583355_100000698053 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.8051 O=C1CCCc2c1c(ccc2O)F 271570a_203496583355_100010133564 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.8051 O=C1CCOc2c1c(ccc2O)F 271570a_203496583355_100012360490 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,0,1,0,0,0|1,0,2]=4 92 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,0,1,0,0,0|1,0,2]=4 93 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,0,1,0,0,0|2,0,0]=3 94 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,0,1,0,0,0|1,0,0]=2 95 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,0,1,0,0,0|2,0,0]=3 96 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,0,1,0,0,0|2,0,0]=3 97 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,0,1,0,0,0|2,0,0]=3 99 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,0,1,0,0,0|1,0,0]=2 104 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,0,1,0,0,0|1,0,0]=2 105 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,0,1,0,0,0|1,0,0]=2 106 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,0,1,0,0,0|0,0,0]=1 107 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,0,1,0,0,0|0,0,0]=1 108 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,0,1,0,0,0|0,0,0]=1 109 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,0,1,0,0,0|1,0,0]=2 110 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,0,1,0,0,0|1,0,0]=2 111 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,0,1,0,0,0|1,0,0]=2 112 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,0,1,0,0,0|1,0,0]=2 113 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,0,1,0,0,0|1,0,0]=2 114 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,0,1,0,0,0|1,0,0]=2 115 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,0,1,0,0,0|1,0,0]=2 116 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,0,1,0,0,0|1,0,0]=2 117 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,0,1,0,0,0|1,0,0]=2 118 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,0,1,0,0,0|1,0,0]=2 119 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,0,1,0,0,0|1,0,0]=2 120 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,0,1,0,0,0|1,0,0]=2 121 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.17 CCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210202 [0,0,1,0,0,0|2,0,1]=4 124 B12R1.17 CCNC(C)c1cc(ccn1)C 269862a_100015525214_100000728896 [0,0,1,0,0,0|2,0,1]=4 125 B12R1.17 CCNC(C)c1cc(ccn1)C 270004a_100015525214_100000728896 [0,0,1,0,0,0|2,0,1]=4 126 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,0,1,0,0,0|1,0,1]=3 129 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,0,1,0,0,0|2,0,1]=4 130 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,0,1,0,0,0|2,0,1]=4 131 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,0,1,0,0,0|2,0,1]=4 132 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,0,1,0,0,0|2,0,1]=4 133 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.17 CCNC(C)c1cccc(n1)C 2230a_100011877385_100000210202 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.17 CCNC(C)c1cccc(n1)C 269862a_100015525214_100011877301 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.17 CCNC(C)c1ccnc(c1)C 269862a_100015525214_100011998260 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.17 CCNC(C)c1cncc(c1)C 269862a_100015525214_100000702010 [0,0,1,0,0,0|2,0,1]=4 140 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,0,1,0,0,0|1,0,1]=3 141 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,0,1,0,0,0|1,0,1]=3 142 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,0,1,0,0,0|2,0,1]=4 143 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,0,1,0,0,0|2,0,1]=4 144 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,0,1,0,0,0|3,0,0]=4 149 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,0,1,0,0,0|2,0,1]=4 151 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,0,1,0,0,0|2,0,0]=3 155 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,0,1,0,0,0|2,0,0]=3 156 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,0,1,0,0,0|2,0,0]=3 157 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,0,1,0,0,0|3,0,0]=4 164 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,0,1,0,0,0|2,0,0]=3 165 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,0,1,0,0,0|1,0,0]=2 166 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,0,1,0,0,0|2,0,0]=3 167 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,0,1,0,0,0|2,0,0]=3 168 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,0,1,0,0,0|2,0,0]=3 169 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,0,1,0,0,0|2,0,0]=3 170 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,0,1,0,0,0|2,0,0]=3 172 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,0,1,0,0,0|3,0,0]=4 173 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,0,1,0,0,0|3,0,0]=4 175 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,0,1,0,0,0|3,0,0]=4 176 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,0,1,0,0,0|3,0,0]=4 177 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,0,1,0,0,0|3,0,0]=4 178 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,0,1,0,0,0|3,0,0]=4 179 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,0,1,0,0,0|3,0,0]=4 180 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,0,1,0,0,0|2,0,0]=3 181 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,0,1,0,0,0|2,0,0]=3 182 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,0,1,0,0,0|3,0,0]=4 183 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,0,1,0,0,0|3,0,0]=4 184 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,0,1,0,0,0|3,0,0]=4 185 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,0,1,0,0,0|3,0,0]=4 186 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,0,1,0,0,0|3,0,0]=4 187 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,0,1,0,0,0|2,0,1]=4 189 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,0,1,0,0,0|2,0,0]=3 190 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,0,1,0,0,0|2,0,0]=3 191 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,0,1,0,0,0|2,0,0]=3 192 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,0,1,0,0,0|2,0,0]=3 193 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,0,1,0,0,0|3,0,0]=4 198 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,0,1,0,0,0|3,0,0]=4 199 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,0,1,0,0,0|3,0,0]=4 201 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,0,1,0,0,0|3,0,0]=4 202 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,0,1,0,0,0|3,0,0]=4 203 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,0,1,0,0,0|3,0,0]=4 204 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,0,1,0,0,0|3,0,0]=4 205 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,0,1,0,0,0|3,0,0]=4 206 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,0,1,0,0,0|3,0,0]=4 207 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,0,1,0,0,0|3,0,0]=4 208 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,0,1,0,0,0|3,0,0]=4 210 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,0,1,0,0,0|3,0,0]=4 211 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,0,1,0,0,0|3,0,0]=4 212 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,0,1,0,0,0|3,0,0]=4 213 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,0,1,0,0,0|3,0,0]=4 214 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,0,1,0,0,0|3,0,0]=4 215 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,0,1,0,0,0|3,0,0]=4 216 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,0,1,0,0,0|2,0,0]=3 217 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,0,1,0,0,0|3,0,0]=4 220 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,0,1,0,0,0|3,0,0]=4 221 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,0,1,0,0,0|2,0,0]=3 222 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,0,1,0,0,0|1,0,0]=2 223 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,0,1,0,0,0|2,0,0]=3 224 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,0,1,0,0,0|2,0,0]=3 226 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,0,1,0,0,0|2,0,0]=3 227 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,0,1,0,0,0|3,0,0]=4 228 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,0,1,0,0,0|2,0,0]=3 229 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,0,1,0,0,0|3,0,0]=4 230 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,0,1,0,0,0|3,0,0]=4 232 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,0,1,0,0,0|3,0,0]=4 233 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,0,1,0,0,0|3,0,0]=4 234 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,0,1,0,0,0|2,0,0]=3 235 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,0,1,0,0,0|3,0,0]=4 236 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,0,1,0,0,0|3,0,0]=4 237 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,0,1,0,0,0|3,0,0]=4 238 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,0,1,0,0,0|3,0,0]=4 239 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,0,1,0,0,0|3,0,0]=4 240 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,0,1,0,0,0|2,0,0]=3 241 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,0,1,0,0,0|3,0,0]=4 242 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,0,1,0,0,0|3,0,0]=4 243 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,0,1,0,0,0|3,0,0]=4 244 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,0,1,0,0,0|3,0,0]=4 245 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,0,1,0,0,0|2,0,0]=3 246 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,0,1,0,0,0|3,0,0]=4 247 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,0,1,0,0,0|3,0,0]=4 248 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,0,1,0,0,0|3,0,0]=4 249 B12R1.24 CCN(C)c1cccc(c1C)C 2230a_100000219776_200000210301 [0,0,1,0,0,0|3,0,0]=4 250 B12R1.24 CCN(C)c1cccc(c1C)C 269982a_100000219776_200000210301 [0,0,1,0,0,0|3,0,0]=4 251 B12R1.24 CCN(C)c1cccc(c1C)C 34a_100000219776_200000210301 [0,0,1,0,0,0|3,0,0]=4 252 B12R1.24 CCN(C)c1cccc(c1C)C 7a_100000219776_200000210301 [0,0,1,0,0,0|3,0,0]=4 253 B12R1.24 CCN([13CH3])c1cccc(c1C)C 2230a_100000219776_200025704644 [0,0,1,0,0,0|3,0,0]=4 254 B12R1.24 CCN([13CH3])c1cccc(c1C)C 269982a_100000219776_200025704644 [0,0,1,0,0,0|3,0,0]=4 255 B12R1.24 CCN([13CH3])c1cccc(c1C)C 34a_100000219776_200025704644 [0,0,1,0,0,0|3,0,0]=4 256 B12R1.24 CCN([13CH3])c1cccc(c1C)C 7a_100000219776_200025704644 [0,0,1,0,0,0|3,0,0]=4 257 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,0,1,0,0,0|2,0,0]=3 258 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,0,1,0,0,0|2,0,0]=3 259 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,0,1,0,0,0|2,0,0]=3 260 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,0,1,0,0,0|2,0,0]=3 261 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,0,1,0,0,0|1,0,0]=2 262 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,0,1,0,0,0|1,0,0]=2 263 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,0,1,0,0,0|1,0,0]=2 264 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,0,1,0,0,0|1,0,0]=2 265 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,0,1,0,0,0|2,0,0]=3 266 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,0,1,0,0,0|2,0,0]=3 267 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,0,1,0,0,0|2,0,0]=3 268 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,0,1,0,0,0|2,0,0]=3 269 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,0,1,0,0,0|2,0,0]=3 270 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,0,1,0,0,0|2,0,0]=3 271 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,0,1,0,0,0|2,0,0]=3 272 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,0,1,0,0,0|2,0,0]=3 273 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,0,1,0,0,0|2,0,0]=3 274 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,0,1,0,0,0|2,0,0]=3 275 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,0,1,0,0,0|2,0,0]=3 276 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,0,1,0,0,0|2,0,0]=3 277 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,0,1,0,0,0|2,0,0]=3 278 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,0,1,0,0,0|2,0,0]=3 279 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,0,1,0,0,0|1,0,0]=2 280 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,0,1,0,0,0|1,0,0]=2 281 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,0,1,0,0,0|1,0,0]=2 282 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,0,1,0,0,0|1,0,0]=2 283 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,0,1,0,0,0|0,0,0]=1 284 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,0,1,0,0,0|0,0,0]=1 285 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,0,1,0,0,0|0,0,0]=1 286 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,0,1,0,0,0|0,0,0]=1 287 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,0,1,0,0,0|1,0,0]=2 288 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,0,1,0,0,0|1,0,0]=2 289 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,0,1,0,0,0|1,0,0]=2 290 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,0,1,0,0,0|1,0,0]=2 291 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,0,1,0,0,0|1,0,0]=2 292 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,0,1,0,0,0|1,0,0]=2 293 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,0,1,0,0,0|1,0,0]=2 294 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,0,1,0,0,0|1,0,0]=2 295 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,0,1,0,0,0|1,0,0]=2 296 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,0,1,0,0,0|1,0,0]=2 297 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,0,1,0,0,0|1,0,0]=2 298 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,0,1,0,0,0|1,0,0]=2 299 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,0,1,0,0,0|1,0,0]=2 300 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,0,1,0,0,0|1,0,0]=2 301 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,0,1,0,0,0|2,0,0]=3 302 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,0,1,0,0,0|2,0,0]=3 303 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,0,1,0,0,0|2,0,0]=3 304 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,0,1,0,0,0|2,0,0]=3 305 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,0,1,0,0,0|1,0,0]=2 306 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,0,1,0,0,0|1,0,0]=2 307 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,0,1,0,0,0|1,0,0]=2 308 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,0,1,0,0,0|1,0,0]=2 309 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,0,1,0,0,0|2,0,0]=3 310 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,0,1,0,0,0|2,0,0]=3 311 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,0,1,0,0,0|2,0,0]=3 312 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,0,1,0,0,0|2,0,0]=3 313 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,0,1,0,0,0|2,0,0]=3 314 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,0,1,0,0,0|2,0,0]=3 315 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,0,1,0,0,0|2,0,0]=3 316 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,0,1,0,0,0|2,0,0]=3 317 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,0,1,0,0,0|2,0,0]=3 318 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,0,1,0,0,0|2,0,0]=3 319 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,0,1,0,0,0|2,0,0]=3 320 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,0,1,0,0,0|2,0,0]=3 321 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,0,1,0,0,0|2,0,0]=3 322 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,0,1,0,0,0|2,0,0]=3 323 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,0,1,0,0,0|2,0,0]=3 324 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,0,1,0,0,0|2,0,0]=3 325 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,0,1,0,0,0|2,0,0]=3 326 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,0,1,0,0,0|2,0,0]=3 327 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,0,1,0,0,0|1,0,0]=2 328 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,0,1,0,0,0|1,0,0]=2 329 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,0,1,0,0,0|1,0,0]=2 330 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,0,1,0,0,0|1,0,0]=2 331 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,0,1,0,0,0|2,0,0]=3 332 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,0,1,0,0,0|2,0,0]=3 333 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,0,1,0,0,0|2,0,0]=3 334 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,0,1,0,0,0|2,0,0]=3 335 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,0,1,0,0,0|2,0,0]=3 336 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,0,1,0,0,0|2,0,0]=3 337 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,0,1,0,0,0|2,0,0]=3 338 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,0,1,0,0,0|2,0,0]=3 339 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,0,1,0,0,0|2,0,0]=3 340 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,0,1,0,0,0|2,0,0]=3 341 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,0,1,0,0,0|2,0,0]=3 342 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,0,1,0,0,0|2,0,0]=3 343 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,0,1,0,0,0|2,0,0]=3 344 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,0,1,0,0,0|2,0,0]=3 345 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,0,1,0,0,0|2,0,0]=3 346 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,0,1,0,0,0|2,0,0]=3 347 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,0,1,0,0,0|2,0,0]=3 348 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,0,1,0,0,0|2,0,0]=3 349 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,0,1,0,0,0|1,0,0]=2 350 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,0,1,0,0,0|1,0,0]=2 351 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,0,1,0,0,0|1,0,0]=2 352 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,0,1,0,0,0|1,0,0]=2 353 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,0,1,0,0,0|2,0,0]=3 354 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,0,1,0,0,0|2,0,0]=3 355 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,0,1,0,0,0|2,0,0]=3 356 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,0,1,0,0,0|2,0,0]=3 357 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,0,1,0,0,0|2,0,0]=3 358 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,0,1,0,0,0|2,0,0]=3 359 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,0,1,0,0,0|2,0,0]=3 360 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,0,1,0,0,0|2,0,0]=3 361 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,0,1,0,0,0|2,0,0]=3 362 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,0,1,0,0,0|2,0,0]=3 363 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,0,1,0,0,0|2,0,0]=3 364 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,0,1,0,0,0|1,0,0]=2 365 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,0,1,0,0,0|1,0,0]=2 366 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,0,1,0,0,0|2,0,0]=3 367 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,0,1,0,0,0|2,0,0]=3 368 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,0,1,0,0,0|2,0,0]=3 369 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,0,1,0,0,0|2,0,0]=3 370 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,0,1,0,0,0|2,0,0]=3 371 B12R1.24 CNC(C)c1cccc(c1C)Br 269862a_106832991636_100012706834 [0,0,1,0,0,0|2,0,1]=4 372 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [0,0,1,0,0,0|1,0,1]=3 373 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [0,0,1,0,0,0|1,0,1]=3 374 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [0,0,1,0,0,0|1,0,1]=3 375 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [0,0,1,0,0,0|1,0,1]=3 376 B12R1.24 CNC(C)c1cccc(c1C)Cl 269862a_106832991636_100012002460 [0,0,1,0,0,0|2,0,1]=4 377 B12R1.24 CNC(C)c1cccc(c1C)F 269862a_106832991636_100000061526 [0,0,1,0,0,0|2,0,1]=4 378 B12R1.24 CNC(C)c1cccc(c1C)I 269862a_106832991636_100010725598 [0,0,1,0,0,0|2,0,1]=4 379 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,0,1,0,0,0|3,0,0]=4 382 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,0,1,0,0,0|2,0,0]=3 383 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,0,1,0,0,0|3,0,0]=4 384 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,0,1,0,0,0|3,0,0]=4 385 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,0,1,0,0,0|3,0,0]=4 386 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,0,1,0,0,0|2,0,0]=3 387 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,0,1,0,0,0|3,0,0]=4 388 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,0,1,0,0,0|3,0,0]=4 389 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,0,1,0,0,0|3,0,0]=4 390 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,0,1,0,0,0|3,0,0]=4 391 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,0,1,0,0,0|3,0,0]=4 392 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,0,1,0,0,0|3,0,0]=4 393 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,0,1,0,0,0|3,0,0]=4 394 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [0,0,1,0,0,0|2,0,1]=4 395 B12R1.24 CSC(C)c1cccc(c1C)C 62a_100012183177_200000210301 [0,0,1,0,0,0|2,0,1]=4 396 B12R1.24 CSC(C)c1cccc(c1C)C 62a_200000210301_100012183177 [0,0,1,0,0,0|2,0,1]=4 397 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,0,1,0,0,0|3,0,0]=4 398 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,0,1,0,0,0|3,0,0]=4 399 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,0,1,0,0,0|3,0,0]=4 400 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,0,1,0,0,0|3,0,0]=4 401 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,0,1,0,0,0|3,0,0]=4 402 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,0,1,0,0,0|2,0,0]=3 403 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,0,1,0,0,0|3,0,0]=4 404 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,0,1,0,0,0|2,0,0]=3 405 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_100012183177_200025704644 [0,0,1,0,0,0|2,0,1]=4 406 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_200025704644_100012183177 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,0,1,0,0,0|3,0,0]=4 408 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,0,1,0,0,0|3,0,0]=4 409 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,0,1,0,0,0|3,0,0]=4 410 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,0,1,0,0,0|3,0,0]=4 411 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,0,1,0,0,0|3,0,0]=4 412 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,0,1,0,0,0|0,0,2]=3 413 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,0,1,0,0,0|1,0,2]=4 414 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,0,1,0,0,0|2,0,0]=3 415 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,0,1,0,0,0|2,0,0]=3 416 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,0,1,0,0,0|3,0,0]=4 417 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,0,1,0,0,0|3,0,0]=4 418 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,0,1,0,0,0|3,0,0]=4 419 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,0,1,0,0,0|3,0,0]=4 420 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,0,1,0,0,0|3,0,0]=4 421 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,0,1,0,0,0|3,0,0]=4 422 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,0,1,0,0,0|2,0,0]=3 423 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,0,1,0,0,0|2,0,0]=3 424 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,0,1,0,0,0|1,0,0]=2 425 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,0,1,0,0,0|2,0,0]=3 426 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,0,1,0,0,0|2,0,0]=3 427 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,0,1,0,0,0|3,0,0]=4 428 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,0,1,0,0,0|2,0,0]=3 429 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,0,1,0,0,0|2,0,0]=3 430 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,0,1,0,0,0|2,0,0]=3 431 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,0,1,0,0,0|3,0,0]=4 432 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,0,1,0,0,0|3,0,0]=4 433 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,0,1,0,0,0|3,0,0]=4 434 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,0,1,0,0,0|3,0,0]=4 435 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,0,1,0,0,0|3,0,0]=4 436 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,0,1,0,0,0|3,0,0]=4 437 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,0,1,0,0,0|3,0,0]=4 438 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,0,1,0,0,0|3,0,0]=4 439 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,0,1,0,0,0|2,0,0]=3 440 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,0,1,0,0,0|2,0,0]=3 441 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,0,1,0,0,0|2,0,0]=3 442 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,0,1,0,0,0|2,0,0]=3 443 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,0,1,0,0,0|2,0,0]=3 444 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,0,1,0,0,0|3,0,0]=4 445 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,0,1,0,0,0|2,0,0]=3 446 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,0,1,0,0,0|3,0,0]=4 447 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,0,1,0,0,0|3,0,0]=4 448 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,0,1,0,0,0|3,0,0]=4 449 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,0,1,0,0,0|3,0,0]=4 450 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,0,1,0,0,0|3,0,0]=4 451 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,0,1,0,0,0|3,0,0]=4 452 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,0,1,0,0,0|3,0,0]=4 453 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,0,1,0,0,0|1,0,0]=2 454 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,0,1,0,0,0|1,0,0]=2 455 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,0,1,0,0,0|2,0,0]=3 456 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,0,1,0,0,0|2,0,0]=3 457 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,0,1,0,0,0|1,0,0]=2 458 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,0,1,0,0,0|3,0,0]=4 459 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,0,1,0,0,0|3,0,0]=4 460 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,0,1,0,0,0|1,0,0]=2 461 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,0,1,0,0,0|1,0,0]=2 462 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,0,1,0,0,0|2,0,0]=3 463 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,0,1,0,0,0|2,0,0]=3 464 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,0,1,0,0,0|2,0,0]=3 465 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,0,1,0,0,0|2,0,0]=3 466 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,0,1,0,0,0|2,0,0]=3 467 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,0,1,0,0,0|2,0,0]=3 468 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,0,1,0,0,0|2,0,0]=3 469 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,0,1,0,0,0|2,0,0]=3 470 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,0,1,0,0,0|3,0,0]=4 471 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,0,1,0,0,0|3,0,0]=4 472 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,0,1,0,0,0|3,0,0]=4 473 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,0,1,0,0,0|3,0,0]=4 474 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,0,1,0,0,0|3,0,0]=4 475 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,0,1,0,0,0|3,0,0]=4 476 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,0,1,0,0,0|3,0,0]=4 477 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,0,1,0,0,0|3,0,0]=4 478 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,0,1,0,0,0|3,0,0]=4 479 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,0,1,0,0,0|3,0,0]=4 480 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,0,1,0,0,0|3,0,0]=4 481 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,0,1,0,0,0|3,0,0]=4 482 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,0,1,0,0,0|3,0,0]=4 483 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,0,1,0,0,0|3,0,0]=4 484 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,0,1,0,0,0|3,0,0]=4 485 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,0,1,0,0,0|3,0,0]=4 486 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,0,1,0,0,0|3,0,0]=4 487 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,0,1,0,0,0|3,0,0]=4 488 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,0,1,0,0,0|3,0,0]=4 489 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,0,1,0,0,0|3,0,0]=4 490 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,0,1,0,0,0|3,0,0]=4 491 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,0,1,0,0,0|3,0,0]=4 492 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,0,1,0,0,0|3,0,0]=4 493 B12R1.267 CC=NNCc1ccccc1C 4a_100000737298_200000210099 [0,0,1,0,0,0|2,0,1]=4 494 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,0,1,0,0,0|2,0,1]=4 495 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,0,1,0,0,0|2,0,1]=4 496 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,0,1,0,0,0|2,0,1]=4 497 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,0,1,0,0,0|1,0,1]=3 498 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,0,1,0,0,0|1,0,1]=3 499 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,0,1,0,0,0|1,0,1]=3 500 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,0,1,0,0,0|2,0,1]=4 501 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,0,1,0,0,0|2,0,1]=4 502 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,0,1,0,0,0|2,0,1]=4 503 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,0,1,0,0,0|2,0,1]=4 504 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,0,1,0,0,0|2,0,1]=4 505 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,0,1,0,0,0|2,0,1]=4 506 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,0,1,0,0,0|2,0,1]=4 507 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,0,1,0,0,0|2,0,1]=4 508 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,0,1,0,0,0|2,0,1]=4 509 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,0,1,0,0,0|2,0,1]=4 510 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,0,1,0,0,0|2,0,1]=4 511 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,0,1,0,0,0|2,0,1]=4 512 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,0,1,0,0,0|2,0,1]=4 513 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,0,1,0,0,0|1,0,1]=3 514 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,0,1,0,0,0|2,0,1]=4 515 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,0,1,0,0,0|2,0,1]=4 516 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,0,1,0,0,0|2,0,1]=4 517 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,0,1,0,0,0|2,0,1]=4 518 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,0,1,0,0,0|2,0,0]=3 519 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,0,1,0,0,0|2,0,0]=3 520 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,0,1,0,0,0|2,0,0]=3 521 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,0,1,0,0,0|2,0,0]=3 522 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,0,1,0,0,0|2,0,0]=3 523 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [0,0,1,0,0,0|3,0,0]=4 524 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,0,1,0,0,0|3,0,0]=4 525 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [0,0,1,0,0,0|3,0,0]=4 526 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [0,0,1,0,0,0|3,0,0]=4 527 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [0,0,1,0,0,0|3,0,0]=4 528 B12R1.267 Cc1ccncc1CSCC=O 62a_100000690890_200015260668 [0,0,1,0,0,0|3,0,0]=4 529 B12R1.267 Cc1ccncc1CSCC=O 62a_200015260668_100000690890 [0,0,1,0,0,0|3,0,0]=4 530 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [0,0,1,0,0,0|3,0,0]=4 531 B12R1.267 Cc1cnccc1CSCC=O 62a_100020672808_200015260668 [0,0,1,0,0,0|3,0,0]=4 532 B12R1.267 Cc1cnccc1CSCC=O 62a_200015260668_100020672808 [0,0,1,0,0,0|3,0,0]=4 533 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [0,0,1,0,0,0|3,0,0]=4 534 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [0,0,1,0,0,0|3,0,0]=4 535 B12R1.267 Cc1ncccc1CSCC=O 62a_100000732876_200015260668 [0,0,1,0,0,0|3,0,0]=4 536 B12R1.267 Cc1ncccc1CSCC=O 62a_200015260668_100000732876 [0,0,1,0,0,0|3,0,0]=4 537 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,0,1,0,0,0|2,0,1]=4 538 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,0,1,0,0,0|2,0,1]=4 539 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,0,1,0,0,0|2,0,1]=4 540 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,0,1,0,0,0|3,0,0]=4 541 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,0,1,0,0,0|3,0,0]=4 542 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,0,1,0,0,0|3,0,0]=4 543 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,0,1,0,0,0|3,0,0]=4 544 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,0,1,0,0,0|3,0,0]=4 545 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,0,1,0,0,0|3,0,0]=4 546 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,0,1,0,0,0|3,0,0]=4 547 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,0,1,0,0,0|3,0,0]=4 548 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,0,1,0,0,0|3,0,0]=4 549 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,0,1,0,0,0|3,0,0]=4 550 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,0,1,0,0,0|3,0,0]=4 551 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,0,1,0,0,0|3,0,0]=4 552 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,0,1,0,0,0|3,0,0]=4 553 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,0,1,0,0,0|3,0,0]=4 554 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,0,1,0,0,0|3,0,0]=4 555 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,0,1,0,0,0|3,0,0]=4 556 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,0,1,0,0,0|3,0,0]=4 557 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,0,1,0,0,0|3,0,0]=4 558 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,0,1,0,0,0|3,0,0]=4 559 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,0,1,0,0,0|3,0,0]=4 560 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,0,1,0,0,0|3,0,0]=4 561 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,0,1,0,0,0|3,0,0]=4 562 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,0,1,0,0,0|3,0,0]=4 563 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,0,1,0,0,0|2,0,1]=4 564 B12R1.1112 C=Cc1cccc(c1CC#N)C 271570a_100011290941_100010147027 [0,0,1,0,0,0|1,0,2]=4 565 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100000210202_100012186367 [0,0,1,0,0,0|2,0,0]=3 566 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100012186367_100000210202 [0,0,1,0,0,0|2,0,0]=3 567 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100000210202_100011934749 [0,0,1,0,0,0|3,0,0]=4 568 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100011934749_100000210202 [0,0,1,0,0,0|3,0,0]=4 569 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100000210202_100009816417 [0,0,1,0,0,0|3,0,0]=4 570 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100009816417_100000210202 [0,0,1,0,0,0|3,0,0]=4 571 B12R1.1112 CNCc1c(cccc1C=O)F 2230a_106832991635_100010132767 [0,0,1,0,0,0|3,0,0]=4 572 B12R1.1112 CNCc1c(cccc1C=O)F 34a_100102657272_100010132767 [0,0,1,0,0,0|3,0,0]=4 573 B12R1.1112 CNCc1c(cccc1C=O)F 7a_106832991635_100010132767 [0,0,1,0,0,0|3,0,0]=4 574 B12R1.1112 COCc1c(cccc1C=O)F 34a_100138415774_100010132767 [0,0,1,0,0,0|3,0,0]=4 575 B12R1.1112 CSCc1c(cccc1C=O)F 62a_100010132767_200000210301 [0,0,1,0,0,0|3,0,0]=4 576 B12R1.1112 CSCc1c(cccc1C=O)F 62a_200000210301_100010132767 [0,0,1,0,0,0|3,0,0]=4 577 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100012186367_100015361967 [0,0,1,0,0,0|2,0,0]=3 578 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100015361967_100012186367 [0,0,1,0,0,0|2,0,0]=3 579 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100011934749_100015361967 [0,0,1,0,0,0|3,0,0]=4 580 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100015361967_100011934749 [0,0,1,0,0,0|3,0,0]=4 581 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100009816417_100015361967 [0,0,1,0,0,0|3,0,0]=4 582 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100015361967_100009816417 [0,0,1,0,0,0|3,0,0]=4 583 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_100010132767_200025704644 [0,0,1,0,0,0|3,0,0]=4 584 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_200025704644_100010132767 [0,0,1,0,0,0|3,0,0]=4 585 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,0,0,0,1,0|1,0,2]=4 586 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,0,0,0,1,0|2,0,1]=4 587 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,0,0,0,1,0|1,0,0]=2 588 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,0,0,0,1,0|2,0,0]=3 589 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,0,0,0,1,0|1,0,0]=2 590 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,0,0,0,1,0|2,0,0]=3 591 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,0,0,0,1,0|2,0,0]=3 592 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,0,0,0,1,0|1,0,2]=4 593 B14R2.28454 O=C1CCCc2c(cccc2N1)O 271570a_203496583355_200000700058 [0,0,0,0,0,1|2,0,0]=3 594 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,1,0,0,0|1,0,0]=3 595 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,0,1,0,0,0|0,0,0]=2 596 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,0,1,0,0,0|0,0,0]=2 597 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,0,1,0,0,0|0,0,0]=2 598 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,1,0,0,0|1,0,1]=4 599 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,1,0,0,0|1,0,1]=4 600 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,1,0,0,0|1,0,1]=4 601 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,1,0,0,0|2,0,0]=4 602 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,1,0,0,0|1,0,0]=3 603 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,1,0,0,0|2,0,0]=4 604 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,1,0,0,0|2,0,0]=4 605 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,0,1,0,0,0|2,0,0]=4 606 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,0,1,0,0,0|2,0,0]=4 607 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,1,0,0,0|2,0,0]=4 608 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,1,0,0,0|2,0,0]=4 609 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,0,1,0,0,0|2,0,0]=4 610 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,0,1,0,0,0|1,0,0]=3 611 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,0,1,0,0,0|0,0,0]=2 612 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,0,1,0,0,0|1,0,0]=3 613 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,0,1,0,0,0|1,0,0]=3 614 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,0,1,0,0,0|1,0,0]=3 615 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,0,1,0,0,0|1,0,0]=3 616 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,0,1,0,0,0|1,0,0]=3 617 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,0,1,0,0,0|2,0,0]=4 618 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,0,1,0,0,0|2,0,0]=4 619 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,0,1,0,0,0|2,0,0]=4 620 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,0,1,0,0,0|2,0,0]=4 621 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,0,1,0,0,0|2,0,0]=4 622 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,0,1,0,0,0|2,0,0]=4 623 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,0,1,0,0,0|2,0,0]=4 624 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,0,1,0,0,0|2,0,0]=4 625 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,0,1,0,0,0|2,0,0]=4 626 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,0,1,0,0,0|2,0,0]=4 627 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,0,1,0,0,0|2,0,0]=4 628 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,0,1,0,0,0|2,0,0]=4 629 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,0,1,0,0,0|2,0,0]=4 630 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,0,1,0,0,0|1,0,0]=3 631 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,0,1,0,0,0|1,0,0]=3 632 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,0,1,0,0,0|1,0,0]=3 633 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,0,1,0,0,0|1,0,0]=3 634 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,0,1,0,0,0|0,0,0]=2 635 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,0,1,0,0,0|0,0,0]=2 636 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,0,1,0,0,0|0,0,0]=2 637 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,0,1,0,0,0|0,0,0]=2 638 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,0,1,0,0,0|1,0,0]=3 639 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,0,1,0,0,0|1,0,0]=3 640 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,0,1,0,0,0|1,0,0]=3 641 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,0,1,0,0,0|1,0,0]=3 642 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,0,1,0,0,0|1,0,0]=3 643 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,0,1,0,0,0|1,0,0]=3 644 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,0,1,0,0,0|1,0,0]=3 645 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,0,1,0,0,0|1,0,0]=3 646 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,0,1,0,0,0|1,0,0]=3 647 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,0,1,0,0,0|1,0,0]=3 648 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,0,1,0,0,0|1,0,0]=3 649 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,0,1,0,0,0|1,0,0]=3 650 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,0,1,0,0,0|1,0,0]=3 651 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,0,1,0,0,0|1,0,0]=3 652 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,0,1,0,0,0|1,0,0]=3 653 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,0,1,0,0,0|2,0,0]=4 654 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,0,1,0,0,0|2,0,0]=4 655 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,0,1,0,0,0|2,0,0]=4 656 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,0,1,0,0,0|1,0,1]=4 657 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,0,1,0,0,0|1,0,1]=4 658 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,0,1,0,0,0|1,0,1]=4 659 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,0,1,0,0,0|2,0,0]=4 660 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,0,1,0,0,0|1,0,0]=3 661 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,0,1,0,0,0|1,0,1]=4 662 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,0,1,0,0,0|1,0,1]=4 663 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,0,1,0,0,0|2,0,0]=4 664 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,0,1,0,0,0|2,0,0]=4 665 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,0,1,0,0,0|2,0,0]=4 666 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,0,1,0,0,0|2,0,0]=4 667 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,0,1,0,0,0|2,0,0]=4 668 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,0,1,0,0,0|2,0,0]=4 669 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,0,1,0,0,0|2,0,0]=4 670 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,0,1,0,0,0|1,0,1]=4 671 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,0,1,0,0,0|2,0,0]=4 672 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,0,1,0,0,0|2,0,0]=4 673 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,0,1,0,0,0|2,0,0]=4 674 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,0,1,0,0,0|2,0,0]=4 675 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,0,1,0,0,0|2,0,0]=4 676 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,0,1,0,0,0|2,0,0]=4 677 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [1,0,1,0,0,0|1,0,1]=4 678 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [1,0,1,0,0,0|1,0,1]=4 679 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [1,0,1,0,0,0|1,0,1]=4 680 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,0,1,0,0,0|1,0,1]=4 681 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,0,1,0,0,0|1,0,1]=4 682 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,0,1,0,0,0|1,0,1]=4 683 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,0,1,0,0,0|1,0,1]=4 684 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,0,1,0,0,0|1,0,1]=4 685 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,0,1,0,0,0|0,0,1]=3 686 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,0,1,0,0,0|0,0,1]=3 687 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,0,1,0,0,0|0,0,1]=3 688 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,0,1,0,0,0|0,0,1]=3 689 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,0,1,0,0,0|0,0,1]=3 690 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,0,1,0,0,0|1,0,1]=4 691 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,0,1,0,0,0|1,0,1]=4 692 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,0,1,0,0,0|1,0,1]=4 693 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,0,1,0,0,0|1,0,1]=4 694 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,0,1,0,0,0|1,0,1]=4 695 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,0,1,0,0,0|1,0,1]=4 696 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,0,1,0,0,0|1,0,1]=4 697 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,0,1,0,0,0|1,0,1]=4 698 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,0,1,0,0,0|1,0,1]=4 699 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,0,1,0,0,0|1,0,1]=4 700 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,0,1,0,0,0|1,0,1]=4 701 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,0,1,0,0,0|1,0,1]=4 702 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,0,1,0,0,0|1,0,1]=4 703 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,0,1,0,0,0|1,0,1]=4 704 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,0,1,0,0,0|1,0,1]=4 705 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,0,1,0,0,0|1,0,1]=4 706 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,0,1,0,0,0|1,0,1]=4 707 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,0,1,0,0,0|1,0,1]=4 708 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,0,1,0,0,0|1,0,1]=4 709 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,0,1,0,0,0|1,0,1]=4 710 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,0,1,0,0,0|1,0,1]=4 711 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [1,0,1,0,0,0|1,0,1]=4 712 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [1,0,1,0,0,0|1,0,1]=4 713 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [1,0,1,0,0,0|1,0,1]=4 714 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [1,0,1,0,0,0|1,0,1]=4 715 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [1,0,1,0,0,0|1,0,1]=4 716 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [1,0,1,0,0,0|1,0,1]=4 717 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [1,0,1,0,0,0|1,0,1]=4 718 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [1,0,1,0,0,0|1,0,1]=4 719 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [1,0,1,0,0,0|1,0,1]=4 720 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [1,0,1,0,0,0|1,0,1]=4 721 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [1,0,1,0,0,0|1,0,1]=4 722 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [1,0,1,0,0,0|1,0,1]=4 723 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [1,0,1,0,0,0|1,0,1]=4 724 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,0,1,0,0,0|1,0,1]=4 725 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,0,1,0,0,0|1,0,1]=4 726 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,0,1,0,0,0|1,0,1]=4 727 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,0,1,0,0,0|1,0,1]=4 728 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,0,1,0,0,0|1,0,1]=4 729 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,0,1,0,0,0|1,0,1]=4 730 B11R1.13 C=C=Cc1cccc(c1C)C 271570a_100015277604_100011214922 [1,0,1,0,0,0|1,0,1]=4 731 B11R1.13 CC=Cc1cccc(c1C)Br 271570a_100016259895_100012353703 [1,0,1,0,0,0|2,0,0]=4 732 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [1,0,1,0,0,0|1,0,0]=3 733 B11R1.13 CC=Cc1cccc(c1C)Cl 271570a_100016259895_100000726075 [1,0,1,0,0,0|2,0,0]=4 734 B11R1.13 CC=Cc1cccc(c1C)F 271570a_100016259895_100011216893 [1,0,1,0,0,0|2,0,0]=4 735 B11R1.13 CC=Cc1cccc(c1C)N 271570a_100016259895_100000761887 [1,0,1,0,0,0|2,0,0]=4 736 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [1,0,1,0,0,0|2,0,0]=4 737 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [1,0,1,0,0,0|2,0,0]=4 738 B11R1.13 CC=Cc1cccc(c1F)C 271570a_100016259895_100000717567 [1,0,1,0,0,0|2,0,0]=4 739 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [1,0,1,0,0,0|2,0,0]=4 740 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [1,0,1,0,0,0|2,0,0]=4 741 B11R1.13 CC=Cc1ccnc(c1C)C 271570a_100016259895_100009846815 [1,0,1,0,0,0|2,0,0]=4 742 B11R1.13 CC=Cc1cncc(c1C)C 271570a_100016259895_100009864703 [1,0,1,0,0,0|2,0,0]=4 743 B11R1.13 CC=Cc1nccc(c1C)C 271570a_100016259895_100009847204 [1,0,1,0,0,0|2,0,0]=4 744 B11R1.13 CCNc1cccc(c1C)C 2230a_100000210026_100000210202 [1,0,1,0,0,0|2,0,0]=4 745 B11R1.13 CCNc1cccc(c1C)C 34a_100000210026_100000210202 [1,0,1,0,0,0|2,0,0]=4 746 B11R1.13 CCNc1cccc(c1C)C 7a_100000210026_100000210202 [1,0,1,0,0,0|2,0,0]=4 747 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,0,1,0,0,0|2,0,0]=4 748 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,0,1,0,0,0|2,0,0]=4 749 B11R1.13 CCSc1cccc(c1C)C 62a_100000210202_100011214922 [1,0,1,0,0,0|2,0,0]=4 750 B11R1.13 CCSc1cccc(c1C)C 62a_100011214922_100000210202 [1,0,1,0,0,0|2,0,0]=4 751 B11R1.13 CNCc1cccc(c1Br)C 207a_100102657272_100012186367 [1,0,1,0,0,0|1,0,1]=4 752 B11R1.13 CNCc1cccc(c1Br)C 2230a_106832991635_200012349612 [1,0,1,0,0,0|1,0,1]=4 753 B11R1.13 CNCc1cccc(c1Br)C 26a_100102657272_100000686692 [1,0,1,0,0,0|1,0,1]=4 754 B11R1.13 CNCc1cccc(c1Br)C 270004a_106832991635_100012186367 [1,0,1,0,0,0|1,0,1]=4 755 B11R1.13 CNCc1cccc(c1Br)C 34a_100102657272_200012349612 [1,0,1,0,0,0|1,0,1]=4 756 B11R1.13 CNCc1cccc(c1Br)C 7a_106832991635_200012349612 [1,0,1,0,0,0|1,0,1]=4 757 B11R1.13 CNCc1cccc(c1C)Br 207a_100102657272_100012179384 [1,0,1,0,0,0|1,0,1]=4 758 B11R1.13 CNCc1cccc(c1C)Br 2230a_106832991635_100000694682 [1,0,1,0,0,0|1,0,1]=4 759 B11R1.13 CNCc1cccc(c1C)Br 26a_100102657272_100012002258 [1,0,1,0,0,0|1,0,1]=4 760 B11R1.13 CNCc1cccc(c1C)Br 270004a_106832991635_100012179384 [1,0,1,0,0,0|1,0,1]=4 761 B11R1.13 CNCc1cccc(c1C)Br 34a_100000724210_200000210301 [1,0,1,0,0,0|1,0,1]=4 762 B11R1.13 CNCc1cccc(c1C)Br 34a_100102657272_100000694682 [1,0,1,0,0,0|1,0,1]=4 763 B11R1.13 CNCc1cccc(c1C)Br 7a_106832991635_100000694682 [1,0,1,0,0,0|1,0,1]=4 764 B11R1.13 CNCc1cccc(c1C)C 207a_100102657272_100000229941 [1,0,1,0,0,0|0,0,1]=3 765 B11R1.13 CNCc1cccc(c1C)C 2230a_100011211637_200000210301 [1,0,1,0,0,0|0,0,1]=3 766 B11R1.13 CNCc1cccc(c1C)C 2230a_106832991635_100011515928 [1,0,1,0,0,0|0,0,1]=3 767 B11R1.13 CNCc1cccc(c1C)C 270004a_106832991635_100000229941 [1,0,1,0,0,0|0,0,1]=3 768 B11R1.13 CNCc1cccc(c1C)C 34a_100011211637_200000210301 [1,0,1,0,0,0|0,0,1]=3 769 B11R1.13 CNCc1cccc(c1C)C 34a_100102657272_100011273979 [1,0,1,0,0,0|0,0,1]=3 770 B11R1.13 CNCc1cccc(c1C)C 7a_106832991635_100011515928 [1,0,1,0,0,0|0,0,1]=3 771 B11R1.13 CNCc1cccc(c1C)Cl 207a_100102657272_100012002129 [1,0,1,0,0,0|1,0,1]=4 772 B11R1.13 CNCc1cccc(c1C)Cl 2230a_100020639605_200000210301 [1,0,1,0,0,0|1,0,1]=4 773 B11R1.13 CNCc1cccc(c1C)Cl 2230a_106832991635_100012186920 [1,0,1,0,0,0|1,0,1]=4 774 B11R1.13 CNCc1cccc(c1C)Cl 270004a_106832991635_100012002129 [1,0,1,0,0,0|1,0,1]=4 775 B11R1.13 CNCc1cccc(c1C)Cl 34a_100020639605_200000210301 [1,0,1,0,0,0|1,0,1]=4 776 B11R1.13 CNCc1cccc(c1C)Cl 34a_100102657272_100012186920 [1,0,1,0,0,0|1,0,1]=4 777 B11R1.13 CNCc1cccc(c1C)Cl 7a_106832991635_100012186920 [1,0,1,0,0,0|1,0,1]=4 778 B11R1.13 CNCc1cccc(c1C)F 207a_100102657272_100000037668 [1,0,1,0,0,0|1,0,1]=4 779 B11R1.13 CNCc1cccc(c1C)F 2230a_100132306986_200000210301 [1,0,1,0,0,0|1,0,1]=4 780 B11R1.13 CNCc1cccc(c1C)F 2230a_106832991635_100009813626 [1,0,1,0,0,0|1,0,1]=4 781 B11R1.13 CNCc1cccc(c1C)F 270004a_106832991635_100000037668 [1,0,1,0,0,0|1,0,1]=4 782 B11R1.13 CNCc1cccc(c1C)F 34a_100102657272_100009813626 [1,0,1,0,0,0|1,0,1]=4 783 B11R1.13 CNCc1cccc(c1C)F 34a_100132306986_200000210301 [1,0,1,0,0,0|1,0,1]=4 784 B11R1.13 CNCc1cccc(c1C)F 7a_106832991635_100009813626 [1,0,1,0,0,0|1,0,1]=4 785 B11R1.13 CNCc1cccc(c1C)I 2230a_106832991635_100010150147 [1,0,1,0,0,0|1,0,1]=4 786 B11R1.13 CNCc1cccc(c1C)I 34a_100102657272_100010150147 [1,0,1,0,0,0|1,0,1]=4 787 B11R1.13 CNCc1cccc(c1C)I 7a_106832991635_100010150147 [1,0,1,0,0,0|1,0,1]=4 788 B11R1.13 CNCc1cccc(c1C)O 270004a_106832991635_100009868165 [1,0,1,0,0,0|1,0,1]=4 789 B11R1.13 CNCc1cccc(c1Cl)C 207a_100102657272_100012017286 [1,0,1,0,0,0|1,0,1]=4 790 B11R1.13 CNCc1cccc(c1Cl)C 2230a_100025705714_200000210301 [1,0,1,0,0,0|1,0,1]=4 791 B11R1.13 CNCc1cccc(c1Cl)C 26a_100102657272_100000695629 [1,0,1,0,0,0|1,0,1]=4 792 B11R1.13 CNCc1cccc(c1Cl)C 270004a_106832991635_100012017286 [1,0,1,0,0,0|1,0,1]=4 793 B11R1.13 CNCc1cccc(c1Cl)C 34a_100025705714_200000210301 [1,0,1,0,0,0|1,0,1]=4 794 B11R1.13 CNCc1cccc(c1F)C 207a_100102657272_100011219516 [1,0,1,0,0,0|1,0,1]=4 795 B11R1.13 CNCc1cccc(c1F)C 2230a_100012002060_200000210301 [1,0,1,0,0,0|1,0,1]=4 796 B11R1.13 CNCc1cccc(c1F)C 2230a_106832991635_100011216058 [1,0,1,0,0,0|1,0,1]=4 797 B11R1.13 CNCc1cccc(c1F)C 270004a_106832991635_100011219516 [1,0,1,0,0,0|1,0,1]=4 798 B11R1.13 CNCc1cccc(c1F)C 34a_100012002060_200000210301 [1,0,1,0,0,0|1,0,1]=4 799 B11R1.13 CNCc1cccc(c1F)C 34a_100102657272_100011216058 [1,0,1,0,0,0|1,0,1]=4 800 B11R1.13 CNCc1cccc(c1F)C 7a_106832991635_100011216058 [1,0,1,0,0,0|1,0,1]=4 801 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,0,1,0,0,0|1,0,1]=4 802 B11R1.13 COCc1cccc(c1C)C 34a_100011219135_200000210301 [1,0,1,0,0,0|1,0,1]=4 803 B11R1.13 COCc1cccc(c1C)C 34a_100138415774_100011273979 [1,0,1,0,0,0|1,0,1]=4 804 B11R1.13 COCc1cccc(c1C)C 7a_100011219135_200000210301 [1,0,1,0,0,0|1,0,1]=4 805 B11R1.13 CSCc1cccc(c1C)C 62a_100011515928_200000210301 [1,0,1,0,0,0|1,0,1]=4 806 B11R1.13 CSCc1cccc(c1C)C 62a_200000210301_100011515928 [1,0,1,0,0,0|1,0,1]=4 807 B11R1.13 Cc1c(cccc1CN[13CH3])Br 34a_100000724210_200025704644 [1,0,1,0,0,0|1,0,1]=4 808 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 2230a_100020639605_200025704644 [1,0,1,0,0,0|1,0,1]=4 809 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 34a_100020639605_200025704644 [1,0,1,0,0,0|1,0,1]=4 810 B11R1.13 Cc1c(cccc1CN[13CH3])F 2230a_100132306986_200025704644 [1,0,1,0,0,0|1,0,1]=4 811 B11R1.13 Cc1c(cccc1CN[13CH3])F 34a_100132306986_200025704644 [1,0,1,0,0,0|1,0,1]=4 812 B11R1.13 Cc1cccc(c1C)CN[13CH3] 2230a_100011211637_200025704644 [1,0,1,0,0,0|0,0,1]=3 813 B11R1.13 Cc1cccc(c1C)CN[13CH3] 34a_100011211637_200025704644 [1,0,1,0,0,0|0,0,1]=3 814 B11R1.13 Cc1cccc(c1C)CO[13CH3] 34a_100011219135_200025704644 [1,0,1,0,0,0|1,0,1]=4 815 B11R1.13 Cc1cccc(c1C)CO[13CH3] 7a_100011219135_200025704644 [1,0,1,0,0,0|1,0,1]=4 816 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_100011515928_200025704644 [1,0,1,0,0,0|1,0,1]=4 817 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_200025704644_100011515928 [1,0,1,0,0,0|1,0,1]=4 818 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 2230a_100025705714_200025704644 [1,0,1,0,0,0|1,0,1]=4 819 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 34a_100025705714_200025704644 [1,0,1,0,0,0|1,0,1]=4 820 B11R1.13 Cc1cccc(c1F)CN[13CH3] 2230a_100012002060_200025704644 [1,0,1,0,0,0|1,0,1]=4 821 B11R1.13 Cc1cccc(c1F)CN[13CH3] 34a_100012002060_200025704644 [1,0,1,0,0,0|1,0,1]=4 822 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,0,1,0,0,0|1,0,1]=4 823 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [1,0,1,0,0,0|2,0,0]=4 824 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [1,0,1,0,0,0|1,0,0]=3 825 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [1,0,1,0,0,0|2,0,0]=4 826 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [1,0,1,0,0,0|2,0,0]=4 827 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [1,0,1,0,0,0|2,0,0]=4 828 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [1,0,1,0,0,0|2,0,0]=4 829 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [1,0,1,0,0,0|2,0,0]=4 830 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [1,0,1,0,0,0|2,0,0]=4 831 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [1,0,1,0,0,0|2,0,0]=4 832 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [1,0,1,0,0,0|2,0,0]=4 833 B11R1.159 C=C(C)c1ccnc(c1C)C 271570a_100000694244_100009846815 [1,0,1,0,0,0|2,0,0]=4 834 B11R1.159 C=C(C)c1cncc(c1C)C 271570a_100000694244_100009864703 [1,0,1,0,0,0|2,0,0]=4 835 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [1,0,1,0,0,0|2,0,0]=4 836 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,0,1,0,0,0|2,0,0]=4 837 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,0,1,0,0,0|1,0,0]=3 838 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,0,1,0,0,0|2,0,0]=4 839 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,0,1,0,0,0|2,0,0]=4 840 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,0,1,0,0,0|2,0,0]=4 841 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,0,1,0,0,0|2,0,0]=4 842 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,0,1,0,0,0|1,0,0]=3 843 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,0,1,0,0,0|0,0,0]=2 844 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,0,1,0,0,0|1,0,0]=3 845 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,0,1,0,0,0|1,0,0]=3 846 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,0,1,0,0,0|1,0,0]=3 847 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,0,1,0,0,0|1,0,0]=3 848 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,0,1,0,0,0|1,0,0]=3 849 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,0,1,0,0,0|2,0,0]=4 850 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,0,1,0,0,0|1,0,0]=3 851 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,0,1,0,0,0|2,0,0]=4 852 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,0,1,0,0,0|2,0,0]=4 853 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,0,1,0,0,0|2,0,0]=4 854 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,0,1,0,0,0|2,0,0]=4 855 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,0,1,0,0,0|2,0,0]=4 856 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,0,1,0,0,0|1,0,0]=3 857 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,0,1,0,0,0|2,0,0]=4 858 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,0,1,0,0,0|2,0,0]=4 859 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,0,1,0,0,0|2,0,0]=4 860 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,0,1,0,0,0|2,0,0]=4 861 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,0,1,0,0,0|2,0,0]=4 862 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,0,1,0,0,0|2,0,0]=4 863 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,0,1,0,0,0|1,0,0]=3 864 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,0,1,0,0,0|2,0,0]=4 865 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,0,1,0,0,0|2,0,0]=4 866 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,0,1,0,0,0|2,0,0]=4 867 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,0,1,0,0,0|2,0,0]=4 868 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,0,1,0,0,0|1,0,0]=3 869 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,0,1,0,0,0|2,0,0]=4 870 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,0,1,0,0,0|2,0,0]=4 871 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,0,1,0,0,0|2,0,0]=4 872 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,0,1,0,0,0|2,0,0]=4 873 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,0,1,0,0,0|2,0,0]=4 874 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,0,1,0,0,0|1,0,0]=3 875 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,0,1,0,0,0|1,0,0]=3 876 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,0,1,0,0,0|1,0,0]=3 877 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,0,1,0,0,0|1,0,0]=3 878 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,0,1,0,0,0|1,0,0]=3 879 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,0,1,0,0,0|1,0,0]=3 880 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,0,1,0,0,0|1,0,0]=3 881 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,0,1,0,0,0|0,0,0]=2 882 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,0,1,0,0,0|1,0,0]=3 883 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,0,1,0,0,0|1,0,0]=3 884 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,0,1,0,0,0|1,0,0]=3 885 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,0,1,0,0,0|1,0,0]=3 886 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,0,1,0,0,0|1,0,0]=3 887 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,0,1,0,0,0|2,0,0]=4 888 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,0,1,0,0,0|2,0,0]=4 889 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,0,1,0,0,0|2,0,0]=4 890 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,0,1,0,0,0|2,0,0]=4 891 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,0,1,0,0,0|2,0,0]=4 892 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,0,1,0,0,0|2,0,0]=4 893 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,0,1,0,0,0|2,0,0]=4 894 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,0,1,0,0,0|2,0,0]=4 895 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,0,1,0,0,0|2,0,0]=4 896 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,0,1,0,0,0|2,0,0]=4 897 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,0,1,0,0,0|2,0,0]=4 898 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,0,1,0,0,0|2,0,0]=4 899 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,0,1,0,0,0|2,0,0]=4 900 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,0,1,0,0,0|2,0,0]=4 901 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,0,1,0,0,0|2,0,0]=4 902 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,0,1,0,0,0|2,0,0]=4 903 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,0,1,0,0,0|2,0,0]=4 904 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,0,1,0,0,0|2,0,0]=4 905 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,0,1,0,0,0|2,0,0]=4 906 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,0,1,0,0,0|2,0,0]=4 907 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,0,1,0,0,0|2,0,0]=4 908 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,0,1,0,0,0|2,0,0]=4 909 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,0,1,0,0,0|2,0,0]=4 910 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,0,1,0,0,0|2,0,0]=4 911 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,0,1,0,0,0|2,0,0]=4 912 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,0,1,0,0,0|2,0,0]=4 913 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,0,1,0,0,0|2,0,0]=4 914 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,0,1,0,0,0|1,0,0]=3 915 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,0,1,0,0,0|2,0,0]=4 916 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,0,1,0,0,0|2,0,0]=4 917 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,0,1,0,0,0|2,0,0]=4 918 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,0,1,0,0,0|2,0,0]=4 919 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,0,1,0,0,0|2,0,0]=4 920 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,0,1,0,0,0|1,0,0]=3 921 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,0,1,0,0,0|1,0,0]=3 922 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,0,1,0,0,0|1,0,0]=3 923 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,0,1,0,0,0|1,0,0]=3 924 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,0,1,0,0,0|0,0,0]=2 925 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,0,1,0,0,0|0,0,0]=2 926 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,0,1,0,0,0|0,0,0]=2 927 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,0,1,0,0,0|0,0,0]=2 928 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,0,1,0,0,0|1,0,0]=3 929 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,0,1,0,0,0|1,0,0]=3 930 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,0,1,0,0,0|1,0,0]=3 931 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,0,1,0,0,0|1,0,0]=3 932 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,0,1,0,0,0|1,0,0]=3 933 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,0,1,0,0,0|1,0,0]=3 934 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,0,1,0,0,0|1,0,0]=3 935 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,0,1,0,0,0|1,0,0]=3 936 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,0,1,0,0,0|1,0,0]=3 937 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,0,1,0,0,0|1,0,0]=3 938 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,0,1,0,0,0|1,0,0]=3 939 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,0,1,0,0,0|1,0,0]=3 940 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,0,1,0,0,0|1,0,0]=3 941 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,0,1,0,0,0|1,0,0]=3 942 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,0,1,0,0,0|1,0,0]=3 943 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,0,1,0,0,0|1,0,0]=3 944 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,0,1,0,0,0|1,0,0]=3 945 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,0,1,0,0,0|2,0,0]=4 946 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,0,1,0,0,0|1,0,1]=4 947 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,0,1,0,0,0|1,0,1]=4 948 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,0,1,0,0,0|1,0,1]=4 949 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,0,1,0,0,0|2,0,0]=4 950 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,0,1,0,0,0|2,0,0]=4 951 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,0,1,0,0,0|1,0,1]=4 952 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,0,1,0,0,0|1,0,1]=4 953 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,0,1,0,0,0|2,0,0]=4 954 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,0,1,0,0,0|2,0,0]=4 955 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,1,0,0,0|0,0,2]=4 956 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,1,0,0,0|2,0,0]=4 957 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,0,1,0,0,0|2,0,0]=4 958 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,0,1,0,0,0|1,0,0]=3 959 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,0,1,0,0,0|1,0,0]=3 960 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,1,0,0,0|1,0,0]=3 961 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,0,1,0,0,0|2,0,0]=4 962 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [1,0,1,0,0,0|2,0,0]=4 963 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,0,1,0,0,0|2,0,0]=4 964 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,1,0,0,0|2,0,0]=4 965 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,1,0,0,0|1,0,0]=3 966 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,1,0,0,0|1,0,0]=3 967 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,1,0,0,0|2,0,0]=4 968 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,0,1,0,0,0|2,0,0]=4 969 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,0,1,0,0,0|1,1,0]=4 970 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,0,1,0,0,0|2,0,0]=4 971 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,0,1,0,0,0|2,0,0]=4 972 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,0,1,0,0,0|2,0,0]=4 973 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,0,1,0,0,0|2,0,0]=4 974 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,0,1,0,0,0|2,0,0]=4 975 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,0,1,0,0,0|2,0,0]=4 976 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,0,1,0,0,0|1,0,0]=3 977 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,0,1,0,0,0|1,0,0]=3 978 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,1,0,0,0|2,0,0]=4 979 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,1,0,0,0|2,0,0]=4 980 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,0,1,0,0,0|2,0,0]=4 981 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,0,1,0,0,0|2,0,0]=4 982 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,0,1,0,0,0|2,0,0]=4 983 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [1,0,1,0,0,0|2,0,0]=4 984 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [1,0,1,0,0,0|2,0,0]=4 985 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [1,0,1,0,0,0|2,0,0]=4 986 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [1,0,1,0,0,0|2,0,0]=4 987 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,0,1,0,0,0|2,0,0]=4 988 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,0,1,0,0,0|2,0,0]=4 989 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,1,0,0,0|2,0,0]=4 990 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,1,0,0,0|1,0,0]=3 991 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,1,0,0,0|1,0,0]=3 992 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,1,0,0,0|1,0,0]=3 993 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,0,1,0,0,0|2,0,0]=4 994 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,0,1,0,0,0|1,1,0]=4 995 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,0,1,0,0,0|2,0,0]=4 996 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,0,1,0,0,0|2,0,0]=4 997 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,0,1,0,0,0|2,0,0]=4 998 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,0,1,0,0,0|2,0,0]=4 999 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1000 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,0,1,0,0,0|1,0,0]=3 1001 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,1,0,0,0|2,0,0]=4 1002 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,1,0,0,0|2,0,0]=4 1003 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,0,1,0,0,0|2,0,0]=4 1004 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,0,1,0,0,0|2,0,0]=4 1005 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [1,0,1,0,0,0|2,0,0]=4 1006 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [1,0,1,0,0,0|2,0,0]=4 1007 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [1,0,1,0,0,0|2,0,0]=4 1008 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [1,0,1,0,0,0|2,0,0]=4 1009 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,0,1,0,0,0|2,0,0]=4 1010 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,0,1,0,0,0|2,0,0]=4 1011 B11R1.265 C=Cc1cccc(c1CN)F 271570a_100011290941_100012349121 [1,0,1,0,0,0|2,0,0]=4 1012 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [1,0,1,0,0,0|2,0,0]=4 1013 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [1,0,1,0,0,0|2,0,0]=4 1014 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [1,0,1,0,0,0|1,0,1]=4 1015 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [1,0,1,0,0,0|1,0,0]=3 1016 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [1,0,1,0,0,0|1,0,0]=3 1017 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [1,0,1,0,0,0|2,0,0]=4 1018 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [1,0,1,0,0,0|2,0,0]=4 1019 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [1,0,1,0,0,0|2,0,0]=4 1020 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [1,0,1,0,0,0|2,0,0]=4 1021 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [1,0,1,0,0,0|1,0,1]=4 1022 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [1,0,1,0,0,0|1,0,0]=3 1023 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [1,0,1,0,0,0|1,0,0]=3 1024 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [1,0,1,0,0,0|2,0,0]=4 1025 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [1,0,1,0,0,0|2,0,0]=4 1026 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [1,0,1,0,0,0|2,0,0]=4 1027 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [1,0,1,0,0,0|2,0,0]=4 1028 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [1,0,1,0,0,0|2,0,0]=4 1029 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [1,0,1,0,0,0|2,0,0]=4 1030 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [1,0,1,0,0,0|2,0,0]=4 1031 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [1,0,1,0,0,0|2,0,0]=4 1032 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [1,0,1,0,0,0|2,0,0]=4 1033 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,0,1,0,0,0|1,0,1]=4 1034 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,0,1,0,0,0|1,0,1]=4 1035 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,0,1,0,0,0|1,0,1]=4 1036 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,0,1,0,0,0|1,0,1]=4 1037 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,0,1,0,0,0|1,0,1]=4 1038 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,0,1,0,0,0|1,0,1]=4 1039 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,0,1,0,0,0|1,0,1]=4 1040 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,0,1,0,0,0|1,0,1]=4 1041 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,0,1,0,0,0|1,0,1]=4 1042 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,0,1,0,0,0|1,0,1]=4 1043 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,0,1,0,0,0|0,0,1]=3 1044 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,0,1,0,0,0|0,0,1]=3 1045 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,0,1,0,0,0|0,0,1]=3 1046 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,0,1,0,0,0|0,0,1]=3 1047 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,0,1,0,0,0|0,0,1]=3 1048 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,0,1,0,0,0|1,0,1]=4 1049 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,0,1,0,0,0|1,0,1]=4 1050 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,0,1,0,0,0|1,0,1]=4 1051 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,0,1,0,0,0|1,0,1]=4 1052 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,0,1,0,0,0|1,0,1]=4 1053 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,0,1,0,0,0|1,0,1]=4 1054 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,0,1,0,0,0|1,0,1]=4 1055 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,0,1,0,0,0|1,0,1]=4 1056 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,0,1,0,0,0|1,0,1]=4 1057 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,0,1,0,0,0|1,0,1]=4 1058 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,0,1,0,0,0|1,0,1]=4 1059 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,0,1,0,0,0|1,0,1]=4 1060 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,0,1,0,0,0|1,0,1]=4 1061 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,0,1,0,0,0|1,0,1]=4 1062 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,0,1,0,0,0|1,0,1]=4 1063 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,0,1,0,0,0|1,0,1]=4 1064 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,0,1,0,0,0|1,0,1]=4 1065 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,0,1,0,0,0|1,0,1]=4 1066 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,0,1,0,0,0|1,0,1]=4 1067 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [1,0,1,0,0,0|2,0,0]=4 1068 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,0,1,0,0,0|0,0,1]=3 1069 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,0,1,0,0,0|0,0,1]=3 1070 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,0,1,0,0,0|1,0,1]=4 1071 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,0,1,0,0,0|1,0,1]=4 1072 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,0,1,0,0,0|1,0,1]=4 1073 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,0,1,0,0,0|1,0,1]=4 1074 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,0,1,0,0,0|1,0,1]=4 1075 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,1,0,0,0|1,0,0]=3 1076 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,0,1,0,0,0|1,0,0]=3 1077 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,0,1,0,0,0|1,0,0]=3 1078 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,0,1,0,0,0|1,0,0]=3 1079 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,0,1,0,0,0|1,0,0]=3 1080 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [1,0,1,0,0,0|2,0,0]=4 1081 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [1,0,1,0,0,0|2,0,0]=4 1082 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [1,0,1,0,0,0|2,0,0]=4 1083 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [1,0,1,0,0,0|2,0,0]=4 1084 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [1,0,1,0,0,0|2,0,0]=4 1085 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [1,0,1,0,0,0|2,0,0]=4 1086 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [1,0,1,0,0,0|2,0,0]=4 1087 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [1,0,1,0,0,0|2,0,0]=4 1088 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [1,0,1,0,0,0|2,0,0]=4 1089 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [1,0,1,0,0,0|2,0,0]=4 1090 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [1,0,1,0,0,0|2,0,0]=4 1091 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [1,0,1,0,0,0|2,0,0]=4 1092 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [1,0,1,0,0,0|2,0,0]=4 1093 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|2,0,0]=4 1094 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|2,0,0]=4 1095 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|2,0,0]=4 1096 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|2,0,0]=4 1097 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,1,0,0,0|1,0,0]=3 1098 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,0,1,0,0,0|2,0,0]=4 1099 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,0,1,0,0,0|2,0,0]=4 1100 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,0,1,0,0,0|2,0,0]=4 1101 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,0,1,0,0,0|2,0,0]=4 1102 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|2,0,0]=4 1103 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,0,1,0,0,0|2,0,0]=4 1104 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,0,1,0,0,0|2,0,0]=4 1105 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,0,1,0,0,0|2,0,0]=4 1106 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,0,1,0,0,0|2,0,0]=4 1107 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,0,1,0,0,0|2,0,0]=4 1108 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,0,1,0,0,0|2,0,0]=4 1109 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,0,1,0,0,0|2,0,0]=4 1110 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,0,1,0,0,0|2,0,0]=4 1111 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,0,1,0,0,0|2,0,0]=4 1112 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,0,1,0,0,0|2,0,0]=4 1113 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,0,1,0,0,0|2,0,0]=4 1114 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,0,1,0,0,0|2,0,0]=4 1115 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,0,1,0,0,0|2,0,0]=4 1116 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,0,1,0,0,0|2,0,0]=4 1117 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,1,0,0,0|2,0,0]=4 1118 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,1,0,0,0|2,0,0]=4 1119 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,0,1,0,0,0|1,0,1]=4 1120 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,0,1,0,0,0|1,0,1]=4 1121 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,0,1,0,0,0|1,0,1]=4 1122 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,0,1,0,0,0|1,0,1]=4 1123 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,0,1,0,0,0|1,0,1]=4 1124 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,0,1,0,0,0|1,0,1]=4 1125 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,0,1,0,0,0|1,0,1]=4 1126 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,1,0,0,0|1,0,1]=4 1127 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,1,0,0,0|1,0,1]=4 1128 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,1,0,0,0|1,0,1]=4 1129 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,0,1,0,0,0|1,0,1]=4 1130 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,1,0,0,0|2,0,0]=4 1131 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,1,0,0,0|2,0,0]=4 1132 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,1,0,0,0|2,0,0]=4 1133 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,1,0,0,0|2,0,0]=4 1134 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,1,0,0,0|2,0,0]=4 1135 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,1,0,0,0|2,0,0]=4 1136 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [1,0,1,0,0,0|1,0,0]=3 1137 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [1,0,1,0,0,0|2,0,0]=4 1138 B11R1.41 C=Cc1ccccc1CNN 271570a_100011290941_200016993956 [1,0,1,0,0,0|2,0,0]=4 1139 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [1,0,1,0,0,0|2,0,0]=4 1140 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [1,0,1,0,0,0|2,0,0]=4 1141 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [1,0,1,0,0,0|2,0,0]=4 1142 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [1,0,1,0,0,0|2,0,0]=4 1143 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [1,0,1,0,0,0|2,0,0]=4 1144 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [1,0,1,0,0,0|2,0,0]=4 1145 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,0,1,0,0,0|2,0,0]=4 1146 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [1,0,1,0,0,0|2,0,0]=4 1147 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [1,0,1,0,0,0|2,0,0]=4 1148 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [1,0,1,0,0,0|2,0,0]=4 1149 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [1,0,1,0,0,0|2,0,0]=4 1150 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [1,0,1,0,0,0|2,0,0]=4 1151 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [1,0,1,0,0,0|2,0,0]=4 1152 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,0,1,0,0,0|2,0,0]=4 1153 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [1,0,1,0,0,0|2,0,0]=4 1154 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [1,0,1,0,0,0|2,0,0]=4 1155 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [1,0,1,0,0,0|2,0,0]=4 1156 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [1,0,1,0,0,0|2,0,0]=4 1157 B13R1.2 CCNC(CC)c1cccc(c1)C 269862a_100015525214_100000730664 [0,1,1,0,0,0|1,0,1]=4 1158 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210202 [0,1,1,0,0,0|1,0,1]=4 1159 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210202 [0,1,1,0,0,0|1,0,1]=4 1160 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210202 [0,1,1,0,0,0|0,0,2]=4 1161 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210202 [0,1,1,0,0,0|0,0,2]=4 1162 B13R1.12 CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210303 [0,1,1,0,0,0|2,0,0]=4 1163 B13R1.12 CCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210303 [0,1,1,0,0,0|1,0,0]=3 1164 B13R1.12 CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210303 [0,1,1,0,0,0|2,0,0]=4 1165 B13R1.12 CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210303 [0,1,1,0,0,0|2,0,0]=4 1166 B13R1.12 CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210303 [0,1,1,0,0,0|2,0,0]=4 1167 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [0,1,1,0,0,0|2,0,0]=4 1168 B13R1.12 CCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210303 [0,1,1,0,0,0|2,0,0]=4 1169 B13R1.12 CCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210303 [0,1,1,0,0,0|1,0,0]=3 1170 B13R1.12 CCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210303 [0,1,1,0,0,0|2,0,0]=4 1171 B13R1.12 CCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210303 [0,1,1,0,0,0|2,0,0]=4 1172 B13R1.12 CCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210303 [0,1,1,0,0,0|2,0,0]=4 1173 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [0,1,1,0,0,0|2,0,0]=4 1174 B13R1.12 CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210303 [0,1,1,0,0,0|2,0,0]=4 1175 B13R1.12 CCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210303 [0,1,1,0,0,0|1,0,0]=3 1176 B13R1.12 CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210303 [0,1,1,0,0,0|2,0,0]=4 1177 B13R1.12 CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210303 [0,1,1,0,0,0|2,0,0]=4 1178 B13R1.12 CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210303 [0,1,1,0,0,0|2,0,0]=4 1179 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,1,1,0,0,0|2,0,0]=4 1180 B13R1.12 CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210303 [0,1,1,0,0,0|2,0,0]=4 1181 B13R1.12 CCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210303 [0,1,1,0,0,0|1,0,0]=3 1182 B13R1.12 CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210303 [0,1,1,0,0,0|2,0,0]=4 1183 B13R1.12 CCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210303 [0,1,1,0,0,0|2,0,0]=4 1184 B13R1.12 CCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210303 [0,1,1,0,0,0|2,0,0]=4 1185 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [0,1,1,0,0,0|2,0,0]=4 1186 B13R1.12 CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210303 [0,1,1,0,0,0|2,0,0]=4 1187 B13R1.12 CCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210303 [0,1,1,0,0,0|1,0,0]=3 1188 B13R1.12 CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210303 [0,1,1,0,0,0|2,0,0]=4 1189 B13R1.12 CCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210303 [0,1,1,0,0,0|2,0,0]=4 1190 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [0,1,1,0,0,0|2,0,0]=4 1191 B13R1.12 CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210303 [0,1,1,0,0,0|2,0,0]=4 1192 B13R1.12 CCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210303 [0,1,1,0,0,0|1,0,0]=3 1193 B13R1.12 CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210303 [0,1,1,0,0,0|2,0,0]=4 1194 B13R1.12 CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210303 [0,1,1,0,0,0|2,0,0]=4 1195 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,1,1,0,0,0|2,0,0]=4 1196 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 11a_100015525214_100012360534 [0,1,1,0,0,0|1,0,0]=3 1197 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 240690a_100015525214_100012360534 [0,1,1,0,0,0|1,0,0]=3 1198 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 527a_100015525214_100012360534 [0,1,1,0,0,0|1,0,0]=3 1199 B13R1.12 CCNC(=O)c1cccc(c1Br)C 11a_100015525214_100000692419 [0,1,1,0,0,0|0,0,0]=2 1200 B13R1.12 CCNC(=O)c1cccc(c1Br)C 240690a_100015525214_100000692419 [0,1,1,0,0,0|0,0,0]=2 1201 B13R1.12 CCNC(=O)c1cccc(c1Br)C 527a_100015525214_100000692419 [0,1,1,0,0,0|0,0,0]=2 1202 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 11a_100015525214_100012339722 [0,1,1,0,0,0|1,0,0]=3 1203 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 240690a_100015525214_100012339722 [0,1,1,0,0,0|1,0,0]=3 1204 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 527a_100015525214_100012339722 [0,1,1,0,0,0|1,0,0]=3 1205 B13R1.12 CCNC(=O)c1cccc(c1Br)F 11a_100015525214_100011217547 [0,1,1,0,0,0|1,0,0]=3 1206 B13R1.12 CCNC(=O)c1cccc(c1Br)F 240690a_100015525214_100011217547 [0,1,1,0,0,0|1,0,0]=3 1207 B13R1.12 CCNC(=O)c1cccc(c1Br)F 527a_100015525214_100011217547 [0,1,1,0,0,0|1,0,0]=3 1208 B13R1.12 CCNC(=O)c1cccc(c1Br)I 11a_100015525214_100010232522 [0,1,1,0,0,0|1,0,0]=3 1209 B13R1.12 CCNC(=O)c1cccc(c1Br)I 240690a_100015525214_100010232522 [0,1,1,0,0,0|1,0,0]=3 1210 B13R1.12 CCNC(=O)c1cccc(c1Br)I 527a_100015525214_100010232522 [0,1,1,0,0,0|1,0,0]=3 1211 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [0,1,1,0,0,0|1,0,0]=3 1212 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [0,1,1,0,0,0|1,0,0]=3 1213 B13R1.12 CCNC(=O)c1cccc(c1C)Br 11a_100015525214_100000760464 [0,1,1,0,0,0|1,0,0]=3 1214 B13R1.12 CCNC(=O)c1cccc(c1C)Br 240690a_100015525214_100000760464 [0,1,1,0,0,0|1,0,0]=3 1215 B13R1.12 CCNC(=O)c1cccc(c1C)Br 527a_100015525214_100000760464 [0,1,1,0,0,0|1,0,0]=3 1216 B13R1.12 CCNC(=O)c1cccc(c1C)C 11a_100015525214_100000183679 [0,1,1,0,0,0|0,0,0]=2 1217 B13R1.12 CCNC(=O)c1cccc(c1C)C 240690a_100015525214_100000183679 [0,1,1,0,0,0|0,0,0]=2 1218 B13R1.12 CCNC(=O)c1cccc(c1C)C 527a_100015525214_100000183679 [0,1,1,0,0,0|0,0,0]=2 1219 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 11a_100015525214_100000690184 [0,1,1,0,0,0|1,0,0]=3 1220 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 240690a_100015525214_100000690184 [0,1,1,0,0,0|1,0,0]=3 1221 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 527a_100015525214_100000690184 [0,1,1,0,0,0|1,0,0]=3 1222 B13R1.12 CCNC(=O)c1cccc(c1C)F 11a_100015525214_100011218272 [0,1,1,0,0,0|1,0,0]=3 1223 B13R1.12 CCNC(=O)c1cccc(c1C)F 240690a_100015525214_100011218272 [0,1,1,0,0,0|1,0,0]=3 1224 B13R1.12 CCNC(=O)c1cccc(c1C)F 527a_100015525214_100011218272 [0,1,1,0,0,0|1,0,0]=3 1225 B13R1.12 CCNC(=O)c1cccc(c1C)I 11a_100015525214_100000751865 [0,1,1,0,0,0|1,0,0]=3 1226 B13R1.12 CCNC(=O)c1cccc(c1C)I 240690a_100015525214_100000751865 [0,1,1,0,0,0|1,0,0]=3 1227 B13R1.12 CCNC(=O)c1cccc(c1C)I 527a_100015525214_100000751865 [0,1,1,0,0,0|1,0,0]=3 1228 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [0,1,1,0,0,0|1,0,0]=3 1229 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [0,1,1,0,0,0|1,0,0]=3 1230 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 11a_100015525214_100000760540 [0,1,1,0,0,0|1,0,0]=3 1231 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 240690a_100015525214_100000760540 [0,1,1,0,0,0|1,0,0]=3 1232 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 527a_100015525214_100000760540 [0,1,1,0,0,0|1,0,0]=3 1233 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 11a_100015525214_100000693142 [0,1,1,0,0,0|0,0,0]=2 1234 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 240690a_100015525214_100000693142 [0,1,1,0,0,0|0,0,0]=2 1235 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 527a_100015525214_100000693142 [0,1,1,0,0,0|0,0,0]=2 1236 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 11a_100015525214_100000183631 [0,1,1,0,0,0|1,0,0]=3 1237 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 240690a_100015525214_100000183631 [0,1,1,0,0,0|1,0,0]=3 1238 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 527a_100015525214_100000183631 [0,1,1,0,0,0|1,0,0]=3 1239 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 11a_100015525214_100000759904 [0,1,1,0,0,0|1,0,0]=3 1240 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 240690a_100015525214_100000759904 [0,1,1,0,0,0|1,0,0]=3 1241 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 527a_100015525214_100000759904 [0,1,1,0,0,0|1,0,0]=3 1242 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 11a_100015525214_100010176783 [0,1,1,0,0,0|1,0,0]=3 1243 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 240690a_100015525214_100010176783 [0,1,1,0,0,0|1,0,0]=3 1244 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 527a_100015525214_100010176783 [0,1,1,0,0,0|1,0,0]=3 1245 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [0,1,1,0,0,0|1,0,0]=3 1246 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [0,1,1,0,0,0|1,0,0]=3 1247 B13R1.12 CCNC(=O)c1cccc(c1F)Br 11a_100015525214_100000756403 [0,1,1,0,0,0|1,0,0]=3 1248 B13R1.12 CCNC(=O)c1cccc(c1F)Br 240690a_100015525214_100000756403 [0,1,1,0,0,0|1,0,0]=3 1249 B13R1.12 CCNC(=O)c1cccc(c1F)Br 527a_100015525214_100000756403 [0,1,1,0,0,0|1,0,0]=3 1250 B13R1.12 CCNC(=O)c1cccc(c1F)C 11a_100015525214_100000766181 [0,1,1,0,0,0|0,0,0]=2 1251 B13R1.12 CCNC(=O)c1cccc(c1F)C 240690a_100015525214_100000766181 [0,1,1,0,0,0|0,0,0]=2 1252 B13R1.12 CCNC(=O)c1cccc(c1F)C 527a_100015525214_100000766181 [0,1,1,0,0,0|0,0,0]=2 1253 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 11a_100015525214_100000688816 [0,1,1,0,0,0|1,0,0]=3 1254 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 240690a_100015525214_100000688816 [0,1,1,0,0,0|1,0,0]=3 1255 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 527a_100015525214_100000688816 [0,1,1,0,0,0|1,0,0]=3 1256 B13R1.12 CCNC(=O)c1cccc(c1F)F 11a_100015525214_100000748134 [0,1,1,0,0,0|1,0,0]=3 1257 B13R1.12 CCNC(=O)c1cccc(c1F)F 240690a_100015525214_100000748134 [0,1,1,0,0,0|1,0,0]=3 1258 B13R1.12 CCNC(=O)c1cccc(c1F)F 527a_100015525214_100000748134 [0,1,1,0,0,0|1,0,0]=3 1259 B13R1.12 CCNC(=O)c1cccc(c1F)I 11a_100015525214_100010185205 [0,1,1,0,0,0|1,0,0]=3 1260 B13R1.12 CCNC(=O)c1cccc(c1F)I 240690a_100015525214_100010185205 [0,1,1,0,0,0|1,0,0]=3 1261 B13R1.12 CCNC(=O)c1cccc(c1F)I 527a_100015525214_100010185205 [0,1,1,0,0,0|1,0,0]=3 1262 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [0,1,1,0,0,0|1,0,0]=3 1263 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [0,1,1,0,0,0|1,0,0]=3 1264 B13R1.12 CCNC(=O)c1cccc(c1I)Br 11a_100015525214_100000688019 [0,1,1,0,0,0|1,0,0]=3 1265 B13R1.12 CCNC(=O)c1cccc(c1I)Br 240690a_100015525214_100000688019 [0,1,1,0,0,0|1,0,0]=3 1266 B13R1.12 CCNC(=O)c1cccc(c1I)Br 527a_100015525214_100000688019 [0,1,1,0,0,0|1,0,0]=3 1267 B13R1.12 CCNC(=O)c1cccc(c1I)C 11a_100015525214_100000739377 [0,1,1,0,0,0|0,0,0]=2 1268 B13R1.12 CCNC(=O)c1cccc(c1I)C 240690a_100015525214_100000739377 [0,1,1,0,0,0|0,0,0]=2 1269 B13R1.12 CCNC(=O)c1cccc(c1I)C 527a_100015525214_100000739377 [0,1,1,0,0,0|0,0,0]=2 1270 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 11a_100015525214_100010176784 [0,1,1,0,0,0|1,0,0]=3 1271 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 240690a_100015525214_100010176784 [0,1,1,0,0,0|1,0,0]=3 1272 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 527a_100015525214_100010176784 [0,1,1,0,0,0|1,0,0]=3 1273 B13R1.12 CCNC(=O)c1cccc(c1I)F 11a_100015525214_100000690930 [0,1,1,0,0,0|1,0,0]=3 1274 B13R1.12 CCNC(=O)c1cccc(c1I)F 240690a_100015525214_100000690930 [0,1,1,0,0,0|1,0,0]=3 1275 B13R1.12 CCNC(=O)c1cccc(c1I)F 527a_100015525214_100000690930 [0,1,1,0,0,0|1,0,0]=3 1276 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [0,1,1,0,0,0|1,0,0]=3 1277 B13R1.12 CCNC(=O)c1cccc(c1O)Br 240690a_100015525214_100000752940 [0,1,1,0,0,0|1,0,0]=3 1278 B13R1.12 CCNC(=O)c1cccc(c1O)Br 527a_100015525214_100000752940 [0,1,1,0,0,0|1,0,0]=3 1279 B13R1.12 CCNC(=O)c1cccc(c1O)C 240690a_100015525214_100000183896 [0,1,1,0,0,0|0,0,0]=2 1280 B13R1.12 CCNC(=O)c1cccc(c1O)C 527a_100015525214_100000183896 [0,1,1,0,0,0|0,0,0]=2 1281 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 240690a_100015525214_100000742801 [0,1,1,0,0,0|1,0,0]=3 1282 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 527a_100015525214_100000742801 [0,1,1,0,0,0|1,0,0]=3 1283 B13R1.12 CCNC(=O)c1cccc(c1O)F 240690a_100015525214_100011217230 [0,1,1,0,0,0|1,0,0]=3 1284 B13R1.12 CCNC(=O)c1cccc(c1O)F 527a_100015525214_100011217230 [0,1,1,0,0,0|1,0,0]=3 1285 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [0,1,1,0,0,0|1,0,0]=3 1286 B13R1.12 CCNC(C)c1cccc(c1C)C 2230a_100015525214_100012183177 [0,1,1,0,0,0|1,0,1]=4 1287 B13R1.12 CCNC(C)c1cccc(c1C)C 269862a_100015525214_100000756305 [0,1,1,0,0,0|1,0,1]=4 1288 B13R1.12 CCNC(C)c1cccc(c1F)C 269862a_100015525214_100012182731 [0,1,1,0,0,0|1,0,1]=4 1289 B13R1.12 CCNC(C)c1cccc(c1O)C 269862a_100015525214_100009847209 [0,1,1,0,0,0|1,0,1]=4 1290 B13R1.12 CCOC(=O)c1cccc(c1C)O 271570a_203496583355_100012298221 [0,1,1,0,0,0|2,0,0]=4 1291 B13R1.12 CCOC(=O)c1cccc(c1F)O 271570a_203496583355_100012350793 [0,1,1,0,0,0|2,0,0]=4 1292 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [0,1,1,0,0,0|2,0,0]=4 1293 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,1,1,0,0,0|1,0,0]=3 1294 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,1,1,0,0,0|2,0,0]=4 1295 B13R1.12 CNNC(=O)c1cccc(c1Br)Br 22a_100016993582_100012360534 [0,1,1,0,0,0|2,0,0]=4 1296 B13R1.12 CNNC(=O)c1cccc(c1Br)C 22a_100016993582_100000692419 [0,1,1,0,0,0|1,0,0]=3 1297 B13R1.12 CNNC(=O)c1cccc(c1Br)Cl 22a_100016993582_100012339722 [0,1,1,0,0,0|2,0,0]=4 1298 B13R1.12 CNNC(=O)c1cccc(c1Br)F 22a_100016993582_100011217547 [0,1,1,0,0,0|2,0,0]=4 1299 B13R1.12 CNNC(=O)c1cccc(c1Br)I 22a_100016993582_100010232522 [0,1,1,0,0,0|2,0,0]=4 1300 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,1,1,0,0,0|2,0,0]=4 1301 B13R1.12 CNNC(=O)c1cccc(c1C)Br 22a_100016993582_100000760464 [0,1,1,0,0,0|2,0,0]=4 1302 B13R1.12 CNNC(=O)c1cccc(c1C)C 22a_100016993582_100000183679 [0,1,1,0,0,0|1,0,0]=3 1303 B13R1.12 CNNC(=O)c1cccc(c1C)Cl 22a_100016993582_100000690184 [0,1,1,0,0,0|2,0,0]=4 1304 B13R1.12 CNNC(=O)c1cccc(c1C)F 22a_100016993582_100011218272 [0,1,1,0,0,0|2,0,0]=4 1305 B13R1.12 CNNC(=O)c1cccc(c1C)I 22a_100016993582_100000751865 [0,1,1,0,0,0|2,0,0]=4 1306 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,1,1,0,0,0|2,0,0]=4 1307 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,1,1,0,0,0|2,0,0]=4 1308 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,1,1,0,0,0|1,0,0]=3 1309 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,1,1,0,0,0|2,0,0]=4 1310 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,1,1,0,0,0|2,0,0]=4 1311 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,1,1,0,0,0|2,0,0]=4 1312 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,1,1,0,0,0|2,0,0]=4 1313 B13R1.12 CNNC(=O)c1cccc(c1F)Br 22a_100016993582_100000756403 [0,1,1,0,0,0|2,0,0]=4 1314 B13R1.12 CNNC(=O)c1cccc(c1F)C 22a_100016993582_100000766181 [0,1,1,0,0,0|1,0,0]=3 1315 B13R1.12 CNNC(=O)c1cccc(c1F)Cl 22a_100016993582_100000688816 [0,1,1,0,0,0|2,0,0]=4 1316 B13R1.12 CNNC(=O)c1cccc(c1F)F 22a_100016993582_100000748134 [0,1,1,0,0,0|2,0,0]=4 1317 B13R1.12 CNNC(=O)c1cccc(c1F)I 22a_100016993582_100010185205 [0,1,1,0,0,0|2,0,0]=4 1318 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,1,1,0,0,0|2,0,0]=4 1319 B13R1.12 CNNC(=O)c1cccc(c1I)Br 22a_100016993582_100000688019 [0,1,1,0,0,0|2,0,0]=4 1320 B13R1.12 CNNC(=O)c1cccc(c1I)C 22a_100016993582_100000739377 [0,1,1,0,0,0|1,0,0]=3 1321 B13R1.12 CNNC(=O)c1cccc(c1I)Cl 22a_100016993582_100010176784 [0,1,1,0,0,0|2,0,0]=4 1322 B13R1.12 CNNC(=O)c1cccc(c1I)F 22a_100016993582_100000690930 [0,1,1,0,0,0|2,0,0]=4 1323 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,1,1,0,0,0|2,0,0]=4 1324 B13R1.12 CNNC(=O)c1cccc(c1O)Br 22a_100016993582_100000752940 [0,1,1,0,0,0|2,0,0]=4 1325 B13R1.12 CNNC(=O)c1cccc(c1O)C 22a_100016993582_100000183896 [0,1,1,0,0,0|1,0,0]=3 1326 B13R1.12 CNNC(=O)c1cccc(c1O)Cl 22a_100016993582_100000742801 [0,1,1,0,0,0|2,0,0]=4 1327 B13R1.12 CNNC(=O)c1cccc(c1O)F 22a_100016993582_100011217230 [0,1,1,0,0,0|2,0,0]=4 1328 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,1,1,0,0,0|2,0,0]=4 1329 B13R1.12 Cc1cccc(c1Br)C(=O)CCF 1458a_100000692419_100011217306 [0,1,1,0,0,0|2,0,0]=4 1330 B13R1.12 Cc1cccc(c1Br)C(=O)CCO 1458a_100000692419_100000211926 [0,1,1,0,0,0|2,0,0]=4 1331 B13R1.12 Cc1cccc(c1C)C(=O)CCF 1458a_100000183679_100011217306 [0,1,1,0,0,0|2,0,0]=4 1332 B13R1.12 Cc1cccc(c1C)C(=O)CCO 1458a_100000183679_100000211926 [0,1,1,0,0,0|2,0,0]=4 1333 B13R1.12 Cc1cccc(c1Cl)C(=O)CCF 1458a_100000693142_100011217306 [0,1,1,0,0,0|2,0,0]=4 1334 B13R1.12 Cc1cccc(c1Cl)C(=O)CCO 1458a_100000693142_100000211926 [0,1,1,0,0,0|2,0,0]=4 1335 B13R1.12 Cc1cccc(c1F)C(=O)CCF 1458a_100000766181_100011217306 [0,1,1,0,0,0|2,0,0]=4 1336 B13R1.12 Cc1cccc(c1F)C(=O)CCO 1458a_100000766181_100000211926 [0,1,1,0,0,0|2,0,0]=4 1337 B13R1.12 Cc1cccc(c1I)C(=O)CCF 1458a_100000739377_100011217306 [0,1,1,0,0,0|2,0,0]=4 1338 B13R1.12 Cc1cccc(c1I)C(=O)CCO 1458a_100000739377_100000211926 [0,1,1,0,0,0|2,0,0]=4 1339 B13R1.12 Cc1cccc(c1O)C(=O)CCF 1458a_100000183896_100011217306 [0,1,1,0,0,0|2,0,0]=4 1340 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,1,1,0,0,0|2,0,0]=4 1341 B13R1.18 C#CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000753159 [0,1,1,0,0,0|1,0,1]=4 1342 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 11a_100000212058_100000210664 [0,1,1,0,0,0|1,0,1]=4 1343 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 1626a_100000212058_100000210664 [0,1,1,0,0,0|1,0,1]=4 1344 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 240690a_100000212058_100000210664 [0,1,1,0,0,0|1,0,1]=4 1345 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 527a_100000212058_100000210664 [0,1,1,0,0,0|1,0,1]=4 1346 B13R1.18 C#CCNC(=O)c1cccc(c1)C 11a_100000212058_100000189346 [0,1,1,0,0,0|0,0,1]=3 1347 B13R1.18 C#CCNC(=O)c1cccc(c1)C 1626a_100000212058_100000189346 [0,1,1,0,0,0|0,0,1]=3 1348 B13R1.18 C#CCNC(=O)c1cccc(c1)C 240690a_100000212058_100000189346 [0,1,1,0,0,0|0,0,1]=3 1349 B13R1.18 C#CCNC(=O)c1cccc(c1)C 527a_100000212058_100000189346 [0,1,1,0,0,0|0,0,1]=3 1350 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 11a_100000212058_100000210390 [0,1,1,0,0,0|1,0,1]=4 1351 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 1626a_100000212058_100000210390 [0,1,1,0,0,0|1,0,1]=4 1352 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 240690a_100000212058_100000210390 [0,1,1,0,0,0|1,0,1]=4 1353 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 527a_100000212058_100000210390 [0,1,1,0,0,0|1,0,1]=4 1354 B13R1.18 C#CCNC(=O)c1cccc(c1)F 11a_100000212058_100000210950 [0,1,1,0,0,0|1,0,1]=4 1355 B13R1.18 C#CCNC(=O)c1cccc(c1)F 1626a_100000212058_100000210950 [0,1,1,0,0,0|1,0,1]=4 1356 B13R1.18 C#CCNC(=O)c1cccc(c1)F 240690a_100000212058_100000210950 [0,1,1,0,0,0|1,0,1]=4 1357 B13R1.18 C#CCNC(=O)c1cccc(c1)F 527a_100000212058_100000210950 [0,1,1,0,0,0|1,0,1]=4 1358 B13R1.18 C#CCNC(=O)c1cccc(c1)I 11a_100000212058_100000184098 [0,1,1,0,0,0|1,0,1]=4 1359 B13R1.18 C#CCNC(=O)c1cccc(c1)I 1626a_100000212058_100000184098 [0,1,1,0,0,0|1,0,1]=4 1360 B13R1.18 C#CCNC(=O)c1cccc(c1)I 240690a_100000212058_100000184098 [0,1,1,0,0,0|1,0,1]=4 1361 B13R1.18 C#CCNC(=O)c1cccc(c1)I 527a_100000212058_100000184098 [0,1,1,0,0,0|1,0,1]=4 1362 B13R1.18 C#CCNC(=O)c1cccc(c1)O 240690a_100000212058_100000183914 [0,1,1,0,0,0|1,0,1]=4 1363 B13R1.18 C#CCNC(=O)c1cccc(c1)O 527a_100000212058_100000183914 [0,1,1,0,0,0|1,0,1]=4 1364 B13R1.18 C/C=C/CC(=O)c1cccc(c1)C 1458a_100000189346_100102629194 [0,1,1,0,0,0|1,0,1]=4 1365 B13R1.18 C=CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000754431 [0,1,1,0,0,0|1,0,1]=4 1366 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 1626a_100020586998_100000210664 [0,1,1,0,0,0|1,0,1]=4 1367 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 240690a_100020586998_100000210664 [0,1,1,0,0,0|1,0,1]=4 1368 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 527a_100020586998_100000210664 [0,1,1,0,0,0|1,0,1]=4 1369 B13R1.18 C=CCNC(=O)c1cccc(c1)C 1626a_100020586998_100000189346 [0,1,1,0,0,0|0,0,1]=3 1370 B13R1.18 C=CCNC(=O)c1cccc(c1)C 240690a_100020586998_100000189346 [0,1,1,0,0,0|0,0,1]=3 1371 B13R1.18 C=CCNC(=O)c1cccc(c1)C 527a_100020586998_100000189346 [0,1,1,0,0,0|0,0,1]=3 1372 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 1626a_100020586998_100000210390 [0,1,1,0,0,0|1,0,1]=4 1373 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 240690a_100020586998_100000210390 [0,1,1,0,0,0|1,0,1]=4 1374 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 527a_100020586998_100000210390 [0,1,1,0,0,0|1,0,1]=4 1375 B13R1.18 C=CCNC(=O)c1cccc(c1)F 1626a_100020586998_100000210950 [0,1,1,0,0,0|1,0,1]=4 1376 B13R1.18 C=CCNC(=O)c1cccc(c1)F 240690a_100020586998_100000210950 [0,1,1,0,0,0|1,0,1]=4 1377 B13R1.18 C=CCNC(=O)c1cccc(c1)F 527a_100020586998_100000210950 [0,1,1,0,0,0|1,0,1]=4 1378 B13R1.18 C=CCNC(=O)c1cccc(c1)I 1626a_100020586998_100000184098 [0,1,1,0,0,0|1,0,1]=4 1379 B13R1.18 C=CCNC(=O)c1cccc(c1)I 240690a_100020586998_100000184098 [0,1,1,0,0,0|1,0,1]=4 1380 B13R1.18 C=CCNC(=O)c1cccc(c1)I 527a_100020586998_100000184098 [0,1,1,0,0,0|1,0,1]=4 1381 B13R1.18 C=CCNC(=O)c1cccc(c1)O 240690a_100020586998_100000183914 [0,1,1,0,0,0|1,0,1]=4 1382 B13R1.18 C=CCNC(=O)c1cccc(c1)O 527a_100020586998_100000183914 [0,1,1,0,0,0|1,0,1]=4 1383 B13R1.18 CC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000748600 [0,1,1,0,0,0|1,0,1]=4 1384 B13R1.18 CC=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000070051 [0,1,1,0,0,0|1,0,1]=4 1385 B13R1.18 CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_200000210099 [0,1,1,0,0,0|1,0,1]=4 1386 B13R1.18 CC=NNC(=O)c1cccc(c1)C 4a_100000189845_200000210099 [0,1,1,0,0,0|0,0,1]=3 1387 B13R1.18 CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_200000210099 [0,1,1,0,0,0|1,0,1]=4 1388 B13R1.18 CC=NNC(=O)c1cccc(c1)F 4a_100000189798_200000210099 [0,1,1,0,0,0|1,0,1]=4 1389 B13R1.18 CC=NNC(=O)c1cccc(c1)I 4a_100000186306_200000210099 [0,1,1,0,0,0|1,0,1]=4 1390 B13R1.18 CC=NNC(=O)c1cccc(n1)C 4a_100000724394_200000210099 [0,1,1,0,0,0|1,0,1]=4 1391 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,1,1,0,0,0|2,0,0]=4 1392 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,1,1,0,0,0|1,0,0]=3 1393 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,1,1,0,0,0|2,0,0]=4 1394 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,1,1,0,0,0|2,0,0]=4 1395 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,1,1,0,0,0|2,0,0]=4 1396 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,1,1,0,0,0|2,0,0]=4 1397 B13R1.18 CCCNC(=O)c1cccc(c1)Br 11a_100020643023_100000210664 [0,1,1,0,0,0|1,0,0]=3 1398 B13R1.18 CCCNC(=O)c1cccc(c1)Br 1626a_100020643023_100000210664 [0,1,1,0,0,0|1,0,0]=3 1399 B13R1.18 CCCNC(=O)c1cccc(c1)Br 240690a_100020643023_100000210664 [0,1,1,0,0,0|1,0,0]=3 1400 B13R1.18 CCCNC(=O)c1cccc(c1)Br 527a_100020643023_100000210664 [0,1,1,0,0,0|1,0,0]=3 1401 B13R1.18 CCCNC(=O)c1cccc(c1)C 11a_100020643023_100000189346 [0,1,1,0,0,0|0,0,0]=2 1402 B13R1.18 CCCNC(=O)c1cccc(c1)C 1626a_100020643023_100000189346 [0,1,1,0,0,0|0,0,0]=2 1403 B13R1.18 CCCNC(=O)c1cccc(c1)C 240690a_100020643023_100000189346 [0,1,1,0,0,0|0,0,0]=2 1404 B13R1.18 CCCNC(=O)c1cccc(c1)C 527a_100020643023_100000189346 [0,1,1,0,0,0|0,0,0]=2 1405 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 11a_100020643023_100000210390 [0,1,1,0,0,0|1,0,0]=3 1406 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1626a_100020643023_100000210390 [0,1,1,0,0,0|1,0,0]=3 1407 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 240690a_100020643023_100000210390 [0,1,1,0,0,0|1,0,0]=3 1408 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 527a_100020643023_100000210390 [0,1,1,0,0,0|1,0,0]=3 1409 B13R1.18 CCCNC(=O)c1cccc(c1)F 11a_100020643023_100000210950 [0,1,1,0,0,0|1,0,0]=3 1410 B13R1.18 CCCNC(=O)c1cccc(c1)F 1626a_100020643023_100000210950 [0,1,1,0,0,0|1,0,0]=3 1411 B13R1.18 CCCNC(=O)c1cccc(c1)F 240690a_100020643023_100000210950 [0,1,1,0,0,0|1,0,0]=3 1412 B13R1.18 CCCNC(=O)c1cccc(c1)F 527a_100020643023_100000210950 [0,1,1,0,0,0|1,0,0]=3 1413 B13R1.18 CCCNC(=O)c1cccc(c1)I 11a_100020643023_100000184098 [0,1,1,0,0,0|1,0,0]=3 1414 B13R1.18 CCCNC(=O)c1cccc(c1)I 1626a_100020643023_100000184098 [0,1,1,0,0,0|1,0,0]=3 1415 B13R1.18 CCCNC(=O)c1cccc(c1)I 240690a_100020643023_100000184098 [0,1,1,0,0,0|1,0,0]=3 1416 B13R1.18 CCCNC(=O)c1cccc(c1)I 527a_100020643023_100000184098 [0,1,1,0,0,0|1,0,0]=3 1417 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,1,1,0,0,0|1,0,0]=3 1418 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,1,1,0,0,0|1,0,0]=3 1419 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,1,1,0,0,0|1,0,0]=3 1420 B13R1.18 CCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000152275 [0,1,1,0,0,0|2,0,0]=4 1421 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,1,1,0,0,0|1,0,1]=4 1422 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,1,1,0,0,0|1,0,1]=4 1423 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,1,1,0,0,0|1,0,1]=4 1424 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,1,1,0,0,0|1,0,0]=3 1425 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,1,1,0,0,0|0,0,0]=2 1426 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,1,1,0,0,0|1,0,0]=3 1427 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,1,1,0,0,0|1,0,0]=3 1428 B13R1.18 CCNN=C(C)c1cc(ccn1)C 4a_100000756455_100000728896 [0,1,1,0,0,0|2,0,0]=4 1429 B13R1.18 CCNN=C(C)c1cccc(c1)Br 4a_100000756455_100000210093 [0,1,1,0,0,0|2,0,0]=4 1430 B13R1.18 CCNN=C(C)c1cccc(c1)C 4a_100000756455_100000211476 [0,1,1,0,0,0|1,0,0]=3 1431 B13R1.18 CCNN=C(C)c1cccc(c1)Cl 4a_100000756455_200000210964 [0,1,1,0,0,0|2,0,0]=4 1432 B13R1.18 CCNN=C(C)c1cccc(c1)F 4a_100000756455_100000187083 [0,1,1,0,0,0|2,0,0]=4 1433 B13R1.18 CCNN=C(C)c1cccc(c1)I 4a_100000756455_100011356966 [0,1,1,0,0,0|2,0,0]=4 1434 B13R1.18 CCNN=C(C)c1cccc(c1)O 4a_100000756455_100000211620 [0,1,1,0,0,0|2,0,0]=4 1435 B13R1.18 CCNN=C(C)c1cccc(n1)C 4a_100000756455_100011877301 [0,1,1,0,0,0|2,0,0]=4 1436 B13R1.18 CCNN=C(C)c1ccnc(c1)C 4a_100000756455_100011998260 [0,1,1,0,0,0|2,0,0]=4 1437 B13R1.18 CCNN=C(C)c1cncc(c1)C 4a_100000756455_100000702010 [0,1,1,0,0,0|2,0,0]=4 1438 B13R1.18 CCNNC(=O)c1cccc(c1)Br 22a_100000756455_100000210664 [0,1,1,0,0,0|1,0,0]=3 1439 B13R1.18 CCNNC(=O)c1cccc(c1)C 22a_100000756455_100000189346 [0,1,1,0,0,0|0,0,0]=2 1440 B13R1.18 CCNNC(=O)c1cccc(c1)Cl 22a_100000756455_100000210390 [0,1,1,0,0,0|1,0,0]=3 1441 B13R1.18 CCNNC(=O)c1cccc(c1)F 22a_100000756455_100000210950 [0,1,1,0,0,0|1,0,0]=3 1442 B13R1.18 CCNNC(=O)c1cccc(c1)I 22a_100000756455_100000184098 [0,1,1,0,0,0|1,0,0]=3 1443 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [0,1,1,0,0,0|1,0,0]=3 1444 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [0,1,1,0,0,0|2,0,0]=4 1445 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [0,1,1,0,0,0|1,0,0]=3 1446 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [0,1,1,0,0,0|2,0,0]=4 1447 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [0,1,1,0,0,0|2,0,0]=4 1448 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [0,1,1,0,0,0|2,0,0]=4 1449 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [0,1,1,0,0,0|2,0,0]=4 1450 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [0,1,1,0,0,0|2,0,0]=4 1451 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,1,1,0,0,0|2,0,0]=4 1452 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000210202_100000212080 [0,1,1,0,0,0|2,0,0]=4 1453 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210202 [0,1,1,0,0,0|2,0,0]=4 1454 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000210202_100000739480 [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210202 [0,1,1,0,0,0|1,0,0]=3 1456 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000210202_100000211444 [0,1,1,0,0,0|2,0,0]=4 1457 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210202 [0,1,1,0,0,0|2,0,0]=4 1458 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000210202_100000215616 [0,1,1,0,0,0|2,0,0]=4 1459 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210202 [0,1,1,0,0,0|2,0,0]=4 1460 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,1,1,0,0,0|2,0,0]=4 1461 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,1,1,0,0,0|2,0,0]=4 1462 B13R1.18 COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000233755 [0,1,1,0,0,0|2,0,0]=4 1463 B13R1.18 COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000233755 [0,1,1,0,0,0|1,0,0]=3 1464 B13R1.18 COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000233755 [0,1,1,0,0,0|2,0,0]=4 1465 B13R1.18 COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000233755 [0,1,1,0,0,0|2,0,0]=4 1466 B13R1.18 COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000233755 [0,1,1,0,0,0|2,0,0]=4 1467 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,1,1,0,0,0|2,0,0]=4 1468 B13R1.18 COCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000766300 [0,1,1,0,0,0|1,0,1]=4 1469 B13R1.18 CSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000751147 [0,1,1,0,0,0|2,0,0]=4 1470 B13R1.18 CSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000751147 [0,1,1,0,0,0|1,0,0]=3 1471 B13R1.18 CSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000751147 [0,1,1,0,0,0|2,0,0]=4 1472 B13R1.18 CSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000751147 [0,1,1,0,0,0|2,0,0]=4 1473 B13R1.18 CSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000751147 [0,1,1,0,0,0|2,0,0]=4 1474 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,1,1,0,0,0|2,0,0]=4 1475 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011218213 [0,1,1,0,0,0|1,0,1]=4 1476 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011218213 [0,1,1,0,0,0|1,0,1]=4 1477 B13R1.18 Cc1cccc(c1)C(=O)CCC#N 1458a_100000189346_100011215226 [0,1,1,0,0,0|1,0,1]=4 1478 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,1,1,0,0,0|1,0,0]=3 1479 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,1,1,0,0,0|1,0,0]=3 1480 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100000739480_100015361967 [0,1,1,0,0,0|2,0,0]=4 1481 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100015361967_100000739480 [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 1626a_100000734998_100000189346 [0,1,1,0,0,0|0,0,1]=3 1483 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 527a_100000734998_100000189346 [0,1,1,0,0,0|0,0,1]=3 1484 B13R1.18 Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100000189346 [0,1,1,0,0,0|0,0,0]=2 1485 B13R1.18 Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000189346 [0,1,1,0,0,0|0,0,0]=2 1486 B13R1.18 Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000189346 [0,1,1,0,0,0|0,0,0]=2 1487 B13R1.18 Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100000189346 [0,1,1,0,0,0|0,0,0]=2 1488 B13R1.18 Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000189346 [0,1,1,0,0,0|0,0,0]=2 1489 B13R1.18 Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000189346 [0,1,1,0,0,0|0,0,0]=2 1490 B13R1.18 Cc1cccc(c1)C(C)NCCF 269862a_100000724931_100000211476 [0,1,1,0,0,0|1,0,1]=4 1491 B13R1.18 Cc1cccc(c1)C(C)NCCO 269862a_100000210304_100000211476 [0,1,1,0,0,0|1,0,1]=4 1492 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 2230a_100000698126_100011217306 [0,1,1,0,0,0|1,0,1]=4 1493 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 34a_100000698126_100011217306 [0,1,1,0,0,0|1,0,1]=4 1494 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 2230a_100000698126_100000211926 [0,1,1,0,0,0|1,0,1]=4 1495 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 34a_100000698126_100000211926 [0,1,1,0,0,0|1,0,1]=4 1496 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 1626a_100000734998_100000210664 [0,1,1,0,0,0|1,0,1]=4 1497 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 527a_100000734998_100000210664 [0,1,1,0,0,0|1,0,1]=4 1498 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 1626a_100000734998_100000210390 [0,1,1,0,0,0|1,0,1]=4 1499 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 527a_100000734998_100000210390 [0,1,1,0,0,0|1,0,1]=4 1500 B13R1.18 N#CCNC(=O)c1cccc(c1)F 1626a_100000734998_100000210950 [0,1,1,0,0,0|1,0,1]=4 1501 B13R1.18 N#CCNC(=O)c1cccc(c1)F 527a_100000734998_100000210950 [0,1,1,0,0,0|1,0,1]=4 1502 B13R1.18 N#CCNC(=O)c1cccc(c1)I 1626a_100000734998_100000184098 [0,1,1,0,0,0|1,0,1]=4 1503 B13R1.18 N#CCNC(=O)c1cccc(c1)I 527a_100000734998_100000184098 [0,1,1,0,0,0|1,0,1]=4 1504 B13R1.18 N#CCNC(=O)c1cccc(c1)O 527a_100000734998_100000183914 [0,1,1,0,0,0|1,0,1]=4 1505 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,1,1,0,0,0|2,0,0]=4 1506 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,1,1,0,0,0|2,0,0]=4 1507 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,1,1,0,0,0|2,0,0]=4 1508 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,1,1,0,0,0|2,0,0]=4 1509 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,1,1,0,0,0|2,0,0]=4 1510 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,1,1,0,0,0|2,0,0]=4 1511 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,1,1,0,0,0|2,0,0]=4 1512 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,1,1,0,0,0|2,0,0]=4 1513 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,1,1,0,0,0|2,0,0]=4 1514 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,1,1,0,0,0|2,0,0]=4 1515 B13R1.18 O=C(NCCF)c1cccc(c1)Br 11a_100000724931_100000210664 [0,1,1,0,0,0|1,0,0]=3 1516 B13R1.18 O=C(NCCF)c1cccc(c1)Br 1626a_100000724931_100000210664 [0,1,1,0,0,0|1,0,0]=3 1517 B13R1.18 O=C(NCCF)c1cccc(c1)Br 240690a_100000724931_100000210664 [0,1,1,0,0,0|1,0,0]=3 1518 B13R1.18 O=C(NCCF)c1cccc(c1)Br 527a_100000724931_100000210664 [0,1,1,0,0,0|1,0,0]=3 1519 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 11a_100000724931_100000210390 [0,1,1,0,0,0|1,0,0]=3 1520 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 1626a_100000724931_100000210390 [0,1,1,0,0,0|1,0,0]=3 1521 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 240690a_100000724931_100000210390 [0,1,1,0,0,0|1,0,0]=3 1522 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 527a_100000724931_100000210390 [0,1,1,0,0,0|1,0,0]=3 1523 B13R1.18 O=C(NCCF)c1cccc(c1)F 11a_100000724931_100000210950 [0,1,1,0,0,0|1,0,0]=3 1524 B13R1.18 O=C(NCCF)c1cccc(c1)F 1626a_100000724931_100000210950 [0,1,1,0,0,0|1,0,0]=3 1525 B13R1.18 O=C(NCCF)c1cccc(c1)F 240690a_100000724931_100000210950 [0,1,1,0,0,0|1,0,0]=3 1526 B13R1.18 O=C(NCCF)c1cccc(c1)F 527a_100000724931_100000210950 [0,1,1,0,0,0|1,0,0]=3 1527 B13R1.18 O=C(NCCF)c1cccc(c1)I 11a_100000724931_100000184098 [0,1,1,0,0,0|1,0,0]=3 1528 B13R1.18 O=C(NCCF)c1cccc(c1)I 1626a_100000724931_100000184098 [0,1,1,0,0,0|1,0,0]=3 1529 B13R1.18 O=C(NCCF)c1cccc(c1)I 240690a_100000724931_100000184098 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.18 O=C(NCCF)c1cccc(c1)I 527a_100000724931_100000184098 [0,1,1,0,0,0|1,0,0]=3 1531 B13R1.18 O=C(NCCF)c1cccc(c1)O 240690a_100000724931_100000183914 [0,1,1,0,0,0|1,0,0]=3 1532 B13R1.18 O=C(NCCF)c1cccc(c1)O 527a_100000724931_100000183914 [0,1,1,0,0,0|1,0,0]=3 1533 B13R1.18 O=C(NCCO)c1cccc(c1)Br 240690a_100000210304_100000210664 [0,1,1,0,0,0|1,0,0]=3 1534 B13R1.18 O=C(NCCO)c1cccc(c1)Br 527a_100000210304_100000210664 [0,1,1,0,0,0|1,0,0]=3 1535 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 240690a_100000210304_100000210390 [0,1,1,0,0,0|1,0,0]=3 1536 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 527a_100000210304_100000210390 [0,1,1,0,0,0|1,0,0]=3 1537 B13R1.18 O=C(NCCO)c1cccc(c1)F 240690a_100000210304_100000210950 [0,1,1,0,0,0|1,0,0]=3 1538 B13R1.18 O=C(NCCO)c1cccc(c1)F 527a_100000210304_100000210950 [0,1,1,0,0,0|1,0,0]=3 1539 B13R1.18 O=C(NCCO)c1cccc(c1)I 240690a_100000210304_100000184098 [0,1,1,0,0,0|1,0,0]=3 1540 B13R1.18 O=C(NCCO)c1cccc(c1)I 527a_100000210304_100000184098 [0,1,1,0,0,0|1,0,0]=3 1541 B13R1.18 O=C(NCCO)c1cccc(c1)O 240690a_100000210304_100000183914 [0,1,1,0,0,0|1,0,0]=3 1542 B13R1.18 O=C(NCCO)c1cccc(c1)O 271570a_203496583355_200000158903 [0,1,1,0,0,0|1,0,0]=3 1543 B13R1.18 O=C(NCCO)c1cccc(c1)O 527a_100000210304_100000183914 [0,1,1,0,0,0|1,0,0]=3 1544 B13R1.22 CCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000758301 [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.22 CCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000758301 [0,1,1,0,0,0|1,0,0]=3 1546 B13R1.22 CCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000758301 [0,1,1,0,0,0|2,0,0]=4 1547 B13R1.22 CCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000758301 [0,1,1,0,0,0|2,0,0]=4 1548 B13R1.22 CCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000758301 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 11a_100000225621_100000210664 [0,1,1,0,0,0|1,0,0]=3 1551 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 1626a_100000225621_100000210664 [0,1,1,0,0,0|1,0,0]=3 1552 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 240690a_100000225621_100000210664 [0,1,1,0,0,0|1,0,0]=3 1553 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 527a_100000225621_100000210664 [0,1,1,0,0,0|1,0,0]=3 1554 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 11a_100000225621_100000189346 [0,1,1,0,0,0|0,0,0]=2 1555 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 1626a_100000225621_100000189346 [0,1,1,0,0,0|0,0,0]=2 1556 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 240690a_100000225621_100000189346 [0,1,1,0,0,0|0,0,0]=2 1557 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 527a_100000225621_100000189346 [0,1,1,0,0,0|0,0,0]=2 1558 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 11a_100000225621_100000210390 [0,1,1,0,0,0|1,0,0]=3 1559 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 1626a_100000225621_100000210390 [0,1,1,0,0,0|1,0,0]=3 1560 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 240690a_100000225621_100000210390 [0,1,1,0,0,0|1,0,0]=3 1561 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 527a_100000225621_100000210390 [0,1,1,0,0,0|1,0,0]=3 1562 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 11a_100000225621_100000210950 [0,1,1,0,0,0|1,0,0]=3 1563 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 1626a_100000225621_100000210950 [0,1,1,0,0,0|1,0,0]=3 1564 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 240690a_100000225621_100000210950 [0,1,1,0,0,0|1,0,0]=3 1565 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 527a_100000225621_100000210950 [0,1,1,0,0,0|1,0,0]=3 1566 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 11a_100000225621_100000184098 [0,1,1,0,0,0|1,0,0]=3 1567 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 1626a_100000225621_100000184098 [0,1,1,0,0,0|1,0,0]=3 1568 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 240690a_100000225621_100000184098 [0,1,1,0,0,0|1,0,0]=3 1569 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 527a_100000225621_100000184098 [0,1,1,0,0,0|1,0,0]=3 1570 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 240690a_100000225621_100000183914 [0,1,1,0,0,0|1,0,0]=3 1571 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 527a_100000225621_100000183914 [0,1,1,0,0,0|1,0,0]=3 1572 B13R1.22 CON(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000153848 [0,1,1,0,0,0|2,0,0]=4 1573 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 270084a_100015525214_100000184224 [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 274078a_100015525214_100000184224 [0,1,1,0,0,0|2,0,0]=4 1575 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 40a_100015525214_100010340488 [0,1,1,0,0,0|2,0,0]=4 1576 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 270084a_100015525214_100000182797 [0,1,1,0,0,0|1,0,0]=3 1577 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 274078a_100015525214_100000182797 [0,1,1,0,0,0|1,0,0]=3 1578 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 40a_100015525214_100010983817 [0,1,1,0,0,0|1,0,0]=3 1579 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 270084a_100015525214_100000182923 [0,1,1,0,0,0|2,0,0]=4 1580 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 274078a_100015525214_100000182923 [0,1,1,0,0,0|2,0,0]=4 1581 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 270084a_100015525214_100000184201 [0,1,1,0,0,0|2,0,0]=4 1582 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 274078a_100015525214_100000184201 [0,1,1,0,0,0|2,0,0]=4 1583 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N 40a_100015525214_100000034547 [0,1,1,0,0,0|2,0,0]=4 1584 B13R1.30 CNNS(=O)(=O)c1cccc(c1)C 40a_100016993582_100010983817 [0,1,1,0,0,0|2,0,0]=4 1585 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,1,1,0,0,0|1,0,1]=4 1586 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,1,0,0,0|1,0,1]=4 1587 B13R1.147 CC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000210624 [0,1,1,0,0,0|2,0,0]=4 1588 B13R1.147 CC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210624 [0,1,1,0,0,0|2,0,0]=4 1589 B13R1.147 CC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000210624 [0,1,1,0,0,0|2,0,0]=4 1590 B13R1.147 CC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000210624 [0,1,1,0,0,0|2,0,0]=4 1591 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [0,1,1,0,0,0|2,0,0]=4 1592 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [0,1,1,0,0,0|2,0,0]=4 1593 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 11a_100138425928_100000210664 [0,1,1,0,0,0|1,0,0]=3 1594 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 1626a_100138425928_100000210664 [0,1,1,0,0,0|1,0,0]=3 1595 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 240690a_100138425928_100000210664 [0,1,1,0,0,0|1,0,0]=3 1596 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 527a_100138425928_100000210664 [0,1,1,0,0,0|1,0,0]=3 1597 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 11a_100138425928_100000210390 [0,1,1,0,0,0|1,0,0]=3 1598 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 1626a_100138425928_100000210390 [0,1,1,0,0,0|1,0,0]=3 1599 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 240690a_100138425928_100000210390 [0,1,1,0,0,0|1,0,0]=3 1600 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 527a_100138425928_100000210390 [0,1,1,0,0,0|1,0,0]=3 1601 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 11a_100138425928_100000210950 [0,1,1,0,0,0|1,0,0]=3 1602 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 1626a_100138425928_100000210950 [0,1,1,0,0,0|1,0,0]=3 1603 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 240690a_100138425928_100000210950 [0,1,1,0,0,0|1,0,0]=3 1604 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 527a_100138425928_100000210950 [0,1,1,0,0,0|1,0,0]=3 1605 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 11a_100138425928_100000184098 [0,1,1,0,0,0|1,0,0]=3 1606 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 1626a_100138425928_100000184098 [0,1,1,0,0,0|1,0,0]=3 1607 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 240690a_100138425928_100000184098 [0,1,1,0,0,0|1,0,0]=3 1608 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 527a_100138425928_100000184098 [0,1,1,0,0,0|1,0,0]=3 1609 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [0,1,1,0,0,0|1,0,0]=3 1610 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [0,1,1,0,0,0|1,0,0]=3 1611 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [0,1,1,0,0,0|1,0,0]=3 1612 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229805 [0,1,1,0,0,0|2,0,0]=4 1613 B13R1.147 CC(C)NC(=O)c1cncc(c1)O 271570a_203496583355_200000152636 [0,1,1,0,0,0|2,0,0]=4 1614 B13R1.147 CC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218427 [0,1,1,0,0,0|2,0,0]=4 1615 B13R1.147 CC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218427 [0,1,1,0,0,0|2,0,0]=4 1616 B13R1.147 CC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218427 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.147 CC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218427 [0,1,1,0,0,0|2,0,0]=4 1618 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [0,1,1,0,0,0|2,0,0]=4 1619 B13R1.147 Cc1cccc(c1)C(=O)CC(C)C 1458a_100000189346_100000210624 [0,1,1,0,0,0|1,0,0]=3 1620 B13R1.147 Cc1cccc(c1)C(=O)CC(C)O 1458a_100000189346_100011218427 [0,1,1,0,0,0|1,0,0]=3 1621 B13R1.147 Cc1cccc(c1)C(=O)CC(F)F 1458a_100000189346_100011934356 [0,1,1,0,0,0|2,0,0]=4 1622 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 2230a_100102631434_100000739480 [0,1,1,0,0,0|2,0,0]=4 1623 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000739480 [0,1,1,0,0,0|2,0,0]=4 1624 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 11a_100138425928_100000189346 [0,1,1,0,0,0|0,0,0]=2 1625 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 1626a_100138425928_100000189346 [0,1,1,0,0,0|0,0,0]=2 1626 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 240690a_100138425928_100000189346 [0,1,1,0,0,0|0,0,0]=2 1627 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 527a_100138425928_100000189346 [0,1,1,0,0,0|0,0,0]=2 1628 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,1,1,0,0,0|1,0,1]=4 1629 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,1,1,0,0,0|1,0,1]=4 1630 B13R1.446 CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210303 [0,1,1,0,0,0|2,0,0]=4 1631 B13R1.446 CCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210303 [0,1,1,0,0,0|1,0,0]=3 1632 B13R1.446 CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210303 [0,1,1,0,0,0|2,0,0]=4 1633 B13R1.446 CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210303 [0,1,1,0,0,0|2,0,0]=4 1634 B13R1.446 CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210303 [0,1,1,0,0,0|2,0,0]=4 1635 B13R1.446 CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210303 [0,1,1,0,0,0|2,0,0]=4 1636 B13R1.446 CCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210303 [0,1,1,0,0,0|2,0,0]=4 1637 B13R1.446 CCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210303 [0,1,1,0,0,0|1,0,0]=3 1638 B13R1.446 CCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210303 [0,1,1,0,0,0|2,0,0]=4 1639 B13R1.446 CCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210303 [0,1,1,0,0,0|2,0,0]=4 1640 B13R1.446 CCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210303 [0,1,1,0,0,0|2,0,0]=4 1641 B13R1.446 CCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210303 [0,1,1,0,0,0|2,0,0]=4 1642 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210303 [0,1,1,0,0,0|2,0,0]=4 1643 B13R1.446 CCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210303 [0,1,1,0,0,0|1,0,0]=3 1644 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210303 [0,1,1,0,0,0|2,0,0]=4 1645 B13R1.446 CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210303 [0,1,1,0,0,0|2,0,0]=4 1646 B13R1.446 CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210303 [0,1,1,0,0,0|2,0,0]=4 1647 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [0,1,1,0,0,0|2,0,0]=4 1648 B13R1.446 CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210303 [0,1,1,0,0,0|2,0,0]=4 1649 B13R1.446 CCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210303 [0,1,1,0,0,0|1,0,0]=3 1650 B13R1.446 CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210303 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.446 CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210303 [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.446 CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210303 [0,1,1,0,0,0|2,0,0]=4 1653 B13R1.446 CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210303 [0,1,1,0,0,0|2,0,0]=4 1654 B13R1.446 CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210303 [0,1,1,0,0,0|2,0,0]=4 1655 B13R1.446 CCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210303 [0,1,1,0,0,0|1,0,0]=3 1656 B13R1.446 CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210303 [0,1,1,0,0,0|2,0,0]=4 1657 B13R1.446 CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210303 [0,1,1,0,0,0|2,0,0]=4 1658 B13R1.446 CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210303 [0,1,1,0,0,0|2,0,0]=4 1659 B13R1.446 CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210303 [0,1,1,0,0,0|2,0,0]=4 1660 B13R1.446 CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210303 [0,1,1,0,0,0|2,0,0]=4 1661 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,1,1,0,0,0|1,0,0]=3 1662 B13R1.446 CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210303 [0,1,1,0,0,0|2,0,0]=4 1663 B13R1.446 CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210303 [0,1,1,0,0,0|2,0,0]=4 1664 B13R1.446 CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210303 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,1,1,0,0,0|2,0,0]=4 1666 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 11a_100015525214_100000690610 [0,1,1,0,0,0|1,0,0]=3 1667 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 240690a_100015525214_100000690610 [0,1,1,0,0,0|1,0,0]=3 1668 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 527a_100015525214_100000690610 [0,1,1,0,0,0|1,0,0]=3 1669 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 11a_100015525214_100000689033 [0,1,1,0,0,0|0,0,0]=2 1670 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 240690a_100015525214_100000689033 [0,1,1,0,0,0|0,0,0]=2 1671 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 527a_100015525214_100000689033 [0,1,1,0,0,0|0,0,0]=2 1672 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 11a_100015525214_100000736951 [0,1,1,0,0,0|1,0,0]=3 1673 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 240690a_100015525214_100000736951 [0,1,1,0,0,0|1,0,0]=3 1674 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 527a_100015525214_100000736951 [0,1,1,0,0,0|1,0,0]=3 1675 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 11a_100015525214_100000212315 [0,1,1,0,0,0|1,0,0]=3 1676 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 240690a_100015525214_100000212315 [0,1,1,0,0,0|1,0,0]=3 1677 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 527a_100015525214_100000212315 [0,1,1,0,0,0|1,0,0]=3 1678 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 11a_100015525214_100000698340 [0,1,1,0,0,0|1,0,0]=3 1679 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 240690a_100015525214_100000698340 [0,1,1,0,0,0|1,0,0]=3 1680 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 527a_100015525214_100000698340 [0,1,1,0,0,0|1,0,0]=3 1681 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 240690a_100015525214_100012352043 [0,1,1,0,0,0|1,0,0]=3 1682 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 527a_100015525214_100012352043 [0,1,1,0,0,0|1,0,0]=3 1683 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 11a_100015525214_100000759961 [0,1,1,0,0,0|1,0,0]=3 1684 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 240690a_100015525214_100000759961 [0,1,1,0,0,0|1,0,0]=3 1685 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 527a_100015525214_100000759961 [0,1,1,0,0,0|1,0,0]=3 1686 B13R1.446 CCNC(=O)c1cc(ccc1C)C 11a_100015525214_100000195421 [0,1,1,0,0,0|0,0,0]=2 1687 B13R1.446 CCNC(=O)c1cc(ccc1C)C 240690a_100015525214_100000195421 [0,1,1,0,0,0|0,0,0]=2 1688 B13R1.446 CCNC(=O)c1cc(ccc1C)C 527a_100015525214_100000195421 [0,1,1,0,0,0|0,0,0]=2 1689 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 11a_100015525214_100000692595 [0,1,1,0,0,0|1,0,0]=3 1690 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 240690a_100015525214_100000692595 [0,1,1,0,0,0|1,0,0]=3 1691 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 527a_100015525214_100000692595 [0,1,1,0,0,0|1,0,0]=3 1692 B13R1.446 CCNC(=O)c1cc(ccc1C)F 11a_100015525214_100000240043 [0,1,1,0,0,0|1,0,0]=3 1693 B13R1.446 CCNC(=O)c1cc(ccc1C)F 240690a_100015525214_100000240043 [0,1,1,0,0,0|1,0,0]=3 1694 B13R1.446 CCNC(=O)c1cc(ccc1C)F 527a_100015525214_100000240043 [0,1,1,0,0,0|1,0,0]=3 1695 B13R1.446 CCNC(=O)c1cc(ccc1C)I 11a_100015525214_100000688012 [0,1,1,0,0,0|1,0,0]=3 1696 B13R1.446 CCNC(=O)c1cc(ccc1C)I 240690a_100015525214_100000688012 [0,1,1,0,0,0|1,0,0]=3 1697 B13R1.446 CCNC(=O)c1cc(ccc1C)I 527a_100015525214_100000688012 [0,1,1,0,0,0|1,0,0]=3 1698 B13R1.446 CCNC(=O)c1cc(ccc1C)O 240690a_100015525214_100000687834 [0,1,1,0,0,0|1,0,0]=3 1699 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 11a_100015525214_100000211212 [0,1,1,0,0,0|1,0,0]=3 1700 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 240690a_100015525214_100000211212 [0,1,1,0,0,0|1,0,0]=3 1701 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 527a_100015525214_100000211212 [0,1,1,0,0,0|1,0,0]=3 1702 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 11a_100015525214_100011290873 [0,1,1,0,0,0|0,0,0]=2 1703 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 240690a_100015525214_100011290873 [0,1,1,0,0,0|0,0,0]=2 1704 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 527a_100015525214_100011290873 [0,1,1,0,0,0|0,0,0]=2 1705 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 11a_100015525214_100000210642 [0,1,1,0,0,0|1,0,0]=3 1706 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100015525214_100000210642 [0,1,1,0,0,0|1,0,0]=3 1707 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 527a_100015525214_100000210642 [0,1,1,0,0,0|1,0,0]=3 1708 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 11a_100015525214_100011219680 [0,1,1,0,0,0|1,0,0]=3 1709 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 240690a_100015525214_100011219680 [0,1,1,0,0,0|1,0,0]=3 1710 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 527a_100015525214_100011219680 [0,1,1,0,0,0|1,0,0]=3 1711 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 11a_100015525214_100000688013 [0,1,1,0,0,0|1,0,0]=3 1712 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 240690a_100015525214_100000688013 [0,1,1,0,0,0|1,0,0]=3 1713 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 527a_100015525214_100000688013 [0,1,1,0,0,0|1,0,0]=3 1714 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 240690a_100015525214_100000719527 [0,1,1,0,0,0|1,0,0]=3 1715 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 527a_100015525214_100000719527 [0,1,1,0,0,0|1,0,0]=3 1716 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 11a_100015525214_100000212322 [0,1,1,0,0,0|1,0,0]=3 1717 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 240690a_100015525214_100000212322 [0,1,1,0,0,0|1,0,0]=3 1718 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 527a_100015525214_100000212322 [0,1,1,0,0,0|1,0,0]=3 1719 B13R1.446 CCNC(=O)c1cc(ccc1F)C 11a_100015525214_100000749327 [0,1,1,0,0,0|0,0,0]=2 1720 B13R1.446 CCNC(=O)c1cc(ccc1F)C 240690a_100015525214_100000749327 [0,1,1,0,0,0|0,0,0]=2 1721 B13R1.446 CCNC(=O)c1cc(ccc1F)C 527a_100015525214_100000749327 [0,1,1,0,0,0|0,0,0]=2 1722 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 11a_100015525214_100000214954 [0,1,1,0,0,0|1,0,0]=3 1723 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 240690a_100015525214_100000214954 [0,1,1,0,0,0|1,0,0]=3 1724 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 527a_100015525214_100000214954 [0,1,1,0,0,0|1,0,0]=3 1725 B13R1.446 CCNC(=O)c1cc(ccc1F)F 11a_100015525214_100000198512 [0,1,1,0,0,0|1,0,0]=3 1726 B13R1.446 CCNC(=O)c1cc(ccc1F)F 240690a_100015525214_100000198512 [0,1,1,0,0,0|1,0,0]=3 1727 B13R1.446 CCNC(=O)c1cc(ccc1F)F 527a_100015525214_100000198512 [0,1,1,0,0,0|1,0,0]=3 1728 B13R1.446 CCNC(=O)c1cc(ccc1F)I 11a_100015525214_100000688014 [0,1,1,0,0,0|1,0,0]=3 1729 B13R1.446 CCNC(=O)c1cc(ccc1F)I 240690a_100015525214_100000688014 [0,1,1,0,0,0|1,0,0]=3 1730 B13R1.446 CCNC(=O)c1cc(ccc1F)I 527a_100015525214_100000688014 [0,1,1,0,0,0|1,0,0]=3 1731 B13R1.446 CCNC(=O)c1cc(ccc1F)O 240690a_100015525214_100000037260 [0,1,1,0,0,0|1,0,0]=3 1732 B13R1.446 CCNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155167 [0,1,1,0,0,0|1,0,0]=3 1733 B13R1.446 CCNC(=O)c1cc(ccc1F)O 527a_100015525214_100000037260 [0,1,1,0,0,0|1,0,0]=3 1734 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 11a_100015525214_100000183945 [0,1,1,0,0,0|1,0,0]=3 1735 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 240690a_100015525214_100000183945 [0,1,1,0,0,0|1,0,0]=3 1736 B13R1.446 CCNC(=O)c1cc(ccc1I)C 11a_100015525214_100000057929 [0,1,1,0,0,0|0,0,0]=2 1737 B13R1.446 CCNC(=O)c1cc(ccc1I)C 240690a_100015525214_100000057929 [0,1,1,0,0,0|0,0,0]=2 1738 B13R1.446 CCNC(=O)c1cc(ccc1I)C 527a_100015525214_100000057929 [0,1,1,0,0,0|0,0,0]=2 1739 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 11a_100015525214_100000739379 [0,1,1,0,0,0|1,0,0]=3 1740 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 240690a_100015525214_100000739379 [0,1,1,0,0,0|1,0,0]=3 1741 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 527a_100015525214_100000739379 [0,1,1,0,0,0|1,0,0]=3 1742 B13R1.446 CCNC(=O)c1cc(ccc1I)F 11a_100015525214_100000748905 [0,1,1,0,0,0|1,0,0]=3 1743 B13R1.446 CCNC(=O)c1cc(ccc1I)F 240690a_100015525214_100000748905 [0,1,1,0,0,0|1,0,0]=3 1744 B13R1.446 CCNC(=O)c1cc(ccc1I)F 527a_100015525214_100000748905 [0,1,1,0,0,0|1,0,0]=3 1745 B13R1.446 CCNC(=O)c1cc(ccc1I)I 11a_100015525214_100000750460 [0,1,1,0,0,0|1,0,0]=3 1746 B13R1.446 CCNC(=O)c1cc(ccc1I)I 240690a_100015525214_100000750460 [0,1,1,0,0,0|1,0,0]=3 1747 B13R1.446 CCNC(=O)c1cc(ccc1I)I 527a_100015525214_100000750460 [0,1,1,0,0,0|1,0,0]=3 1748 B13R1.446 CCNC(=O)c1cc(ccc1I)O 240690a_100015525214_200009995701 [0,1,1,0,0,0|1,0,0]=3 1749 B13R1.446 CCNC(=O)c1cc(ccc1I)O 527a_100015525214_200009995701 [0,1,1,0,0,0|1,0,0]=3 1750 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 240690a_100015525214_100000212140 [0,1,1,0,0,0|1,0,0]=3 1751 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 527a_100015525214_100000212140 [0,1,1,0,0,0|1,0,0]=3 1752 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,1,1,0,0,0|0,0,0]=2 1753 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,1,1,0,0,0|0,0,0]=2 1754 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 11a_100015525214_100000212143 [0,1,1,0,0,0|1,0,0]=3 1755 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 240690a_100015525214_100000212143 [0,1,1,0,0,0|1,0,0]=3 1756 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 527a_100015525214_100000212143 [0,1,1,0,0,0|1,0,0]=3 1757 B13R1.446 CCNC(=O)c1cc(ccc1O)F 240690a_100015525214_100000742286 [0,1,1,0,0,0|1,0,0]=3 1758 B13R1.446 CCNC(=O)c1cc(ccc1O)F 527a_100015525214_100000742286 [0,1,1,0,0,0|1,0,0]=3 1759 B13R1.446 CCNC(=O)c1cc(ccc1O)I 240690a_100015525214_100000212111 [0,1,1,0,0,0|1,0,0]=3 1760 B13R1.446 CCNC(=O)c1cc(ccc1O)I 527a_100015525214_100000212111 [0,1,1,0,0,0|1,0,0]=3 1761 B13R1.446 CCNC(C)c1cc(ccc1Br)C 269862a_100015525214_100012361225 [0,1,1,0,0,0|1,0,1]=4 1762 B13R1.446 CCNC(C)c1cc(ccc1C)C 269862a_100015525214_100000211711 [0,1,1,0,0,0|1,0,1]=4 1763 B13R1.446 CCNC(C)c1cc(ccc1F)C 269862a_100015525214_100000760338 [0,1,1,0,0,0|1,0,1]=4 1764 B13R1.446 CCNC(C)c1cc(ccc1O)C 269862a_100015525214_100000195442 [0,1,1,0,0,0|1,0,1]=4 1765 B13R1.446 CCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000210202 [0,1,1,0,0,0|1,0,1]=4 1766 B13R1.446 CCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100000210202 [0,1,1,0,0,0|1,0,1]=4 1767 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [0,1,1,0,0,0|2,0,0]=4 1770 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [0,1,1,0,0,0|2,0,0]=4 1771 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,1,1,0,0,0|2,0,0]=4 1773 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,1,1,0,0,0|1,0,0]=3 1774 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.446 CCOC(=O)c1cc(cnc1O)C 271570a_203496583355_100009868943 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,1,1,0,0,0|2,0,0]=4 1779 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.446 CNNC(=O)c1cc(ccc1Br)Br 22a_100016993582_100000690610 [0,1,1,0,0,0|2,0,0]=4 1782 B13R1.446 CNNC(=O)c1cc(ccc1Br)C 22a_100016993582_100000689033 [0,1,1,0,0,0|1,0,0]=3 1783 B13R1.446 CNNC(=O)c1cc(ccc1Br)Cl 22a_100016993582_100000736951 [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.446 CNNC(=O)c1cc(ccc1Br)F 22a_100016993582_100000212315 [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.446 CNNC(=O)c1cc(ccc1Br)I 22a_100016993582_100000698340 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.446 CNNC(=O)c1cc(ccc1Br)O 22a_100016993582_100012352043 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.446 CNNC(=O)c1cc(ccc1C)Br 22a_100016993582_100000759961 [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.446 CNNC(=O)c1cc(ccc1C)C 22a_100016993582_100000195421 [0,1,1,0,0,0|1,0,0]=3 1789 B13R1.446 CNNC(=O)c1cc(ccc1C)Cl 22a_100016993582_100000692595 [0,1,1,0,0,0|2,0,0]=4 1790 B13R1.446 CNNC(=O)c1cc(ccc1C)F 22a_100016993582_100000240043 [0,1,1,0,0,0|2,0,0]=4 1791 B13R1.446 CNNC(=O)c1cc(ccc1C)I 22a_100016993582_100000688012 [0,1,1,0,0,0|2,0,0]=4 1792 B13R1.446 CNNC(=O)c1cc(ccc1C)O 22a_100016993582_100000687834 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Br 22a_100016993582_100000211212 [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.446 CNNC(=O)c1cc(ccc1Cl)C 22a_100016993582_100011290873 [0,1,1,0,0,0|1,0,0]=3 1795 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Cl 22a_100016993582_100000210642 [0,1,1,0,0,0|2,0,0]=4 1796 B13R1.446 CNNC(=O)c1cc(ccc1Cl)F 22a_100016993582_100011219680 [0,1,1,0,0,0|2,0,0]=4 1797 B13R1.446 CNNC(=O)c1cc(ccc1Cl)I 22a_100016993582_100000688013 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.446 CNNC(=O)c1cc(ccc1F)Br 22a_100016993582_100000212322 [0,1,1,0,0,0|2,0,0]=4 1800 B13R1.446 CNNC(=O)c1cc(ccc1F)C 22a_100016993582_100000749327 [0,1,1,0,0,0|1,0,0]=3 1801 B13R1.446 CNNC(=O)c1cc(ccc1F)Cl 22a_100016993582_100000214954 [0,1,1,0,0,0|2,0,0]=4 1802 B13R1.446 CNNC(=O)c1cc(ccc1F)F 22a_100016993582_100000198512 [0,1,1,0,0,0|2,0,0]=4 1803 B13R1.446 CNNC(=O)c1cc(ccc1F)I 22a_100016993582_100000688014 [0,1,1,0,0,0|2,0,0]=4 1804 B13R1.446 CNNC(=O)c1cc(ccc1F)O 22a_100016993582_100000037260 [0,1,1,0,0,0|2,0,0]=4 1805 B13R1.446 CNNC(=O)c1cc(ccc1I)Br 22a_100016993582_100000183945 [0,1,1,0,0,0|2,0,0]=4 1806 B13R1.446 CNNC(=O)c1cc(ccc1I)C 22a_100016993582_100000057929 [0,1,1,0,0,0|1,0,0]=3 1807 B13R1.446 CNNC(=O)c1cc(ccc1I)Cl 22a_100016993582_100000739379 [0,1,1,0,0,0|2,0,0]=4 1808 B13R1.446 CNNC(=O)c1cc(ccc1I)F 22a_100016993582_100000748905 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.446 CNNC(=O)c1cc(ccc1I)I 22a_100016993582_100000750460 [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.446 CNNC(=O)c1cc(ccc1I)O 22a_100016993582_200009995701 [0,1,1,0,0,0|2,0,0]=4 1811 B13R1.446 CNNC(=O)c1cc(ccc1O)Br 22a_100016993582_100000212140 [0,1,1,0,0,0|2,0,0]=4 1812 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,1,1,0,0,0|1,0,0]=3 1813 B13R1.446 CNNC(=O)c1cc(ccc1O)Cl 22a_100016993582_100000212143 [0,1,1,0,0,0|2,0,0]=4 1814 B13R1.446 CNNC(=O)c1cc(ccc1O)F 22a_100016993582_100000742286 [0,1,1,0,0,0|2,0,0]=4 1815 B13R1.446 CNNC(=O)c1cc(ccc1O)I 22a_100016993582_100000212111 [0,1,1,0,0,0|2,0,0]=4 1816 B13R1.446 COCC(=O)c1cc(ccc1C)C 34a_100138415774_100000183774 [0,1,1,0,0,0|2,0,0]=4 1817 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_100000183774_200000210301 [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_200000210301_100000183774 [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Br 1458a_100000689033_100011217306 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)C 1458a_100000195421_100011217306 [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Cl 1458a_100011290873_100011217306 [0,1,1,0,0,0|2,0,0]=4 1822 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)F 1458a_100000749327_100011217306 [0,1,1,0,0,0|2,0,0]=4 1823 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)I 1458a_100000057929_100011217306 [0,1,1,0,0,0|2,0,0]=4 1824 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Br 1458a_100000689033_100000211926 [0,1,1,0,0,0|2,0,0]=4 1826 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)C 1458a_100000195421_100000211926 [0,1,1,0,0,0|2,0,0]=4 1827 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Cl 1458a_100011290873_100000211926 [0,1,1,0,0,0|2,0,0]=4 1828 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)F 1458a_100000749327_100000211926 [0,1,1,0,0,0|2,0,0]=4 1829 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)I 1458a_100000057929_100000211926 [0,1,1,0,0,0|2,0,0]=4 1830 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_100000183774_200025704644 [0,1,1,0,0,0|2,0,0]=4 1832 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_200025704644_100000183774 [0,1,1,0,0,0|2,0,0]=4 1833 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210303 [0,1,1,0,0,0|2,0,0]=4 1834 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210303 [0,1,1,0,0,0|1,0,0]=3 1835 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210303 [0,1,1,0,0,0|2,0,0]=4 1836 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210303 [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210303 [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.450 CCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210303 [0,1,1,0,0,0|1,0,0]=3 1839 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210303 [0,1,1,0,0,0|1,0,0]=3 1840 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210303 [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210303 [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210303 [0,1,1,0,0,0|2,0,0]=4 1843 B13R1.450 CCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210303 [0,1,1,0,0,0|1,0,0]=3 1844 B13R1.450 CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210303 [0,1,1,0,0,0|2,0,0]=4 1845 B13R1.450 CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210303 [0,1,1,0,0,0|2,0,0]=4 1846 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210303 [0,1,1,0,0,0|2,0,0]=4 1847 B13R1.450 CCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210303 [0,1,1,0,0,0|1,0,0]=3 1848 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210303 [0,1,1,0,0,0|2,0,0]=4 1849 B13R1.450 CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210303 [0,1,1,0,0,0|2,0,0]=4 1850 B13R1.450 CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210303 [0,1,1,0,0,0|2,0,0]=4 1851 B13R1.450 CCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210303 [0,1,1,0,0,0|1,0,0]=3 1852 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 11a_100015525214_100000687083 [0,1,1,0,0,0|1,0,0]=3 1853 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100015525214_100000687083 [0,1,1,0,0,0|1,0,0]=3 1854 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 527a_100015525214_100000687083 [0,1,1,0,0,0|1,0,0]=3 1855 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 11a_100015525214_100000760426 [0,1,1,0,0,0|0,0,0]=2 1856 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 240690a_100015525214_100000760426 [0,1,1,0,0,0|0,0,0]=2 1857 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 527a_100015525214_100000760426 [0,1,1,0,0,0|0,0,0]=2 1858 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 11a_100015525214_100000687899 [0,1,1,0,0,0|1,0,0]=3 1859 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100015525214_100000687899 [0,1,1,0,0,0|1,0,0]=3 1860 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100015525214_100000687899 [0,1,1,0,0,0|1,0,0]=3 1861 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 11a_100015525214_100000739618 [0,1,1,0,0,0|1,0,0]=3 1862 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 240690a_100015525214_100000739618 [0,1,1,0,0,0|1,0,0]=3 1863 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 527a_100015525214_100000739618 [0,1,1,0,0,0|1,0,0]=3 1864 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 240690a_100015525214_100011934545 [0,1,1,0,0,0|1,0,0]=3 1865 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 527a_100015525214_100011934545 [0,1,1,0,0,0|1,0,0]=3 1866 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 11a_100015525214_100000210874 [0,1,1,0,0,0|0,0,0]=2 1867 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 240690a_100015525214_100000210874 [0,1,1,0,0,0|0,0,0]=2 1868 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 527a_100015525214_100000210874 [0,1,1,0,0,0|0,0,0]=2 1869 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 11a_100015525214_100000684526 [0,1,1,0,0,0|0,0,0]=2 1870 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 240690a_100015525214_100000684526 [0,1,1,0,0,0|0,0,0]=2 1871 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 527a_100015525214_100000684526 [0,1,1,0,0,0|0,0,0]=2 1872 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100015525214_100000210701 [0,1,1,0,0,0|1,0,0]=3 1873 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100015525214_100000210701 [0,1,1,0,0,0|1,0,0]=3 1874 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100015525214_100000210701 [0,1,1,0,0,0|1,0,0]=3 1875 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 11a_100015525214_100000685768 [0,1,1,0,0,0|1,0,0]=3 1876 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100015525214_100000685768 [0,1,1,0,0,0|1,0,0]=3 1877 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 527a_100015525214_100000685768 [0,1,1,0,0,0|1,0,0]=3 1878 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100015525214_100011997059 [0,1,1,0,0,0|1,0,0]=3 1879 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 527a_100015525214_100011997059 [0,1,1,0,0,0|1,0,0]=3 1880 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 11a_100015525214_100000763163 [0,1,1,0,0,0|0,0,0]=2 1881 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 240690a_100015525214_100000763163 [0,1,1,0,0,0|0,0,0]=2 1882 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 527a_100015525214_100000763163 [0,1,1,0,0,0|0,0,0]=2 1883 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 11a_100015525214_100000211655 [0,1,1,0,0,0|1,0,0]=3 1884 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 240690a_100015525214_100000211655 [0,1,1,0,0,0|1,0,0]=3 1885 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 527a_100015525214_100000211655 [0,1,1,0,0,0|1,0,0]=3 1886 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 11a_100015525214_100012017291 [0,1,1,0,0,0|1,0,0]=3 1887 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 240690a_100015525214_100012017291 [0,1,1,0,0,0|1,0,0]=3 1888 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 527a_100015525214_100012017291 [0,1,1,0,0,0|1,0,0]=3 1889 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 11a_100015525214_100000689235 [0,1,1,0,0,0|1,0,0]=3 1890 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 240690a_100015525214_100000689235 [0,1,1,0,0,0|1,0,0]=3 1891 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 527a_100015525214_100000689235 [0,1,1,0,0,0|1,0,0]=3 1892 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 11a_100015525214_100000729426 [0,1,1,0,0,0|0,0,0]=2 1893 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 240690a_100015525214_100000729426 [0,1,1,0,0,0|0,0,0]=2 1894 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 527a_100015525214_100000729426 [0,1,1,0,0,0|0,0,0]=2 1895 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 11a_100015525214_100012047205 [0,1,1,0,0,0|1,0,0]=3 1896 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100015525214_100012047205 [0,1,1,0,0,0|1,0,0]=3 1897 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 527a_100015525214_100012047205 [0,1,1,0,0,0|1,0,0]=3 1898 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 11a_100015525214_100012047268 [0,1,1,0,0,0|1,0,0]=3 1899 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 240690a_100015525214_100012047268 [0,1,1,0,0,0|1,0,0]=3 1900 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 527a_100015525214_100012047268 [0,1,1,0,0,0|1,0,0]=3 1901 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 11a_100015525214_100011204819 [0,1,1,0,0,0|1,0,0]=3 1902 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 240690a_100015525214_100011204819 [0,1,1,0,0,0|1,0,0]=3 1903 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 527a_100015525214_100011204819 [0,1,1,0,0,0|1,0,0]=3 1904 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 240690a_100015525214_100000094094 [0,1,1,0,0,0|0,0,0]=2 1905 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 527a_100015525214_100000094094 [0,1,1,0,0,0|0,0,0]=2 1906 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 240690a_100015525214_100000690292 [0,1,1,0,0,0|1,0,0]=3 1907 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 527a_100015525214_100000690292 [0,1,1,0,0,0|1,0,0]=3 1908 B13R1.450 CCNC(C)c1cc(cc(c1)Br)C 269862a_100015525214_100000694479 [0,1,1,0,0,0|1,0,1]=4 1909 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 2230a_100000753145_100000210202 [0,1,1,0,0,0|1,0,1]=4 1910 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 269862a_100015525214_100000753124 [0,1,1,0,0,0|1,0,1]=4 1911 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 34a_100000753145_100000210202 [0,1,1,0,0,0|1,0,1]=4 1912 B13R1.450 CCNC(C)c1cc(cc(c1)F)C 269862a_100015525214_100011830400 [0,1,1,0,0,0|1,0,1]=4 1913 B13R1.450 CCNC(C)c1cc(cc(c1)O)C 269862a_100015525214_100009855872 [0,1,1,0,0,0|1,0,1]=4 1914 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_200012351389 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.450 CCOC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295119 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.450 CCOC(=O)c1cc(cc(n1)C)O 271570a_203496583355_100010743377 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.450 CCOC(=O)c1cc(cc(n1)O)C 271570a_203496583355_200000094552 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100011830423 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Br 22a_100016993582_100000687083 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)C 22a_100016993582_100000760426 [0,1,1,0,0,0|1,0,0]=3 1921 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Cl 22a_100016993582_100000687899 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)F 22a_100016993582_100000739618 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)O 22a_100016993582_100011934545 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.450 CNNC(=O)c1cc(cc(c1)C)C 22a_100016993582_100000210874 [0,1,1,0,0,0|1,0,0]=3 1925 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)C 22a_100016993582_100000684526 [0,1,1,0,0,0|1,0,0]=3 1926 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100016993582_100000210701 [0,1,1,0,0,0|2,0,0]=4 1927 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)F 22a_100016993582_100000685768 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)O 22a_100016993582_100011997059 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.450 CNNC(=O)c1cc(cc(c1)F)C 22a_100016993582_100000763163 [0,1,1,0,0,0|1,0,0]=3 1930 B13R1.450 CNNC(=O)c1cc(cc(c1)F)F 22a_100016993582_100000211655 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.450 CNNC(=O)c1cc(cc(c1)F)O 22a_100016993582_100012017291 [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Br 22a_100016993582_100000689235 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.450 CNNC(=O)c1cc(cc(c1)I)C 22a_100016993582_100000729426 [0,1,1,0,0,0|1,0,0]=3 1934 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Cl 22a_100016993582_100012047205 [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.450 CNNC(=O)c1cc(cc(c1)I)F 22a_100016993582_100012047268 [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.450 CNNC(=O)c1cc(cc(c1)I)I 22a_100016993582_100011204819 [0,1,1,0,0,0|2,0,0]=4 1937 B13R1.450 CNNC(=O)c1cc(cc(c1)O)C 22a_100016993582_100000094094 [0,1,1,0,0,0|1,0,0]=3 1938 B13R1.450 CNNC(=O)c1cc(cc(c1)O)O 22a_100016993582_100000690292 [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Br 1458a_100000760426_100011217306 [0,1,1,0,0,0|2,0,0]=4 1940 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)C 1458a_100000210874_100011217306 [0,1,1,0,0,0|2,0,0]=4 1941 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Cl 1458a_100000684526_100011217306 [0,1,1,0,0,0|2,0,0]=4 1942 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)F 1458a_100000763163_100011217306 [0,1,1,0,0,0|2,0,0]=4 1943 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)I 1458a_100000729426_100011217306 [0,1,1,0,0,0|2,0,0]=4 1944 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)O 1458a_100000094094_100011217306 [0,1,1,0,0,0|2,0,0]=4 1945 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Br 1458a_100000760426_100000211926 [0,1,1,0,0,0|2,0,0]=4 1946 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)C 1458a_100000210874_100000211926 [0,1,1,0,0,0|2,0,0]=4 1947 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Cl 1458a_100000684526_100000211926 [0,1,1,0,0,0|2,0,0]=4 1948 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)F 1458a_100000763163_100000211926 [0,1,1,0,0,0|2,0,0]=4 1949 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)I 1458a_100000729426_100000211926 [0,1,1,0,0,0|2,0,0]=4 1950 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)O 1458a_100000094094_100000211926 [0,1,1,0,0,0|2,0,0]=4 1951 B13R1.460 C#Cc1cccc(c1)C(=O)CCC 1458a_100011997762_100000210303 [0,1,1,0,0,0|1,0,1]=4 1952 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011997762 [0,1,1,0,0,0|0,0,1]=3 1953 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011997762 [0,1,1,0,0,0|0,0,1]=3 1954 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011997762 [0,1,1,0,0,0|0,0,1]=3 1955 B13R1.460 C#Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011997762 [0,1,1,0,0,0|1,0,1]=4 1956 B13R1.460 C=Cc1cc(ccn1)C(=O)NCC 271570a_100011290941_100000229823 [0,1,1,0,0,0|1,0,1]=4 1957 B13R1.460 C=Cc1cccc(c1)C(=O)CCC 1458a_100011215009_100000210303 [0,1,1,0,0,0|1,0,1]=4 1958 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011215009 [0,1,1,0,0,0|0,0,1]=3 1959 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011215009 [0,1,1,0,0,0|0,0,1]=3 1960 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 271570a_100011290941_100000155180 [0,1,1,0,0,0|0,0,1]=3 1961 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011215009 [0,1,1,0,0,0|0,0,1]=3 1962 B13R1.460 C=Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011215009 [0,1,1,0,0,0|1,0,1]=4 1963 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [0,1,1,0,0,0|1,0,1]=4 1964 B13R1.460 C=Cc1ccnc(c1)C(=O)NCC 271570a_100011290941_100000194128 [0,1,1,0,0,0|1,0,1]=4 1965 B13R1.460 C=Cc1cncc(c1)C(=O)NCC 271570a_100011290941_200000155184 [0,1,1,0,0,0|1,0,1]=4 1966 B13R1.460 CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210303 [0,1,1,0,0,0|1,0,1]=4 1967 B13R1.460 CCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210303 [0,1,1,0,0,0|1,0,0]=3 1968 B13R1.460 CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210303 [0,1,1,0,0,0|1,0,0]=3 1969 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [0,1,1,0,0,0|1,0,0]=3 1970 B13R1.460 CCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210303 [0,1,1,0,0,0|1,0,0]=3 1971 B13R1.460 CCNC(=O)c1cc(ccn1)NC 27a_100102657272_100000194128 [0,1,1,0,0,0|1,0,0]=3 1972 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_100000194128_200000210301 [0,1,1,0,0,0|1,0,0]=3 1973 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_200000210301_100000194128 [0,1,1,0,0,0|1,0,0]=3 1974 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_100000194128_200025704644 [0,1,1,0,0,0|1,0,0]=3 1975 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000194128 [0,1,1,0,0,0|1,0,0]=3 1976 B13R1.460 CCNC(=O)c1cccc(c1)C#N 11a_100015525214_100000183950 [0,1,1,0,0,0|0,0,1]=3 1977 B13R1.460 CCNC(=O)c1cccc(c1)C#N 240690a_100015525214_100000183950 [0,1,1,0,0,0|0,0,1]=3 1978 B13R1.460 CCNC(=O)c1cccc(c1)C#N 527a_100015525214_100000183950 [0,1,1,0,0,0|0,0,1]=3 1979 B13R1.460 CCNC(=O)c1cccc(c1)CC 11a_100015525214_100011933908 [0,1,1,0,0,0|0,0,0]=2 1980 B13R1.460 CCNC(=O)c1cccc(c1)CC 240690a_100015525214_100011933908 [0,1,1,0,0,0|0,0,0]=2 1981 B13R1.460 CCNC(=O)c1cccc(c1)CC 527a_100015525214_100011933908 [0,1,1,0,0,0|0,0,0]=2 1982 B13R1.460 CCNC(=O)c1cccc(c1)CO 240690a_100015525214_100000746274 [0,1,1,0,0,0|0,0,0]=2 1983 B13R1.460 CCNC(=O)c1cccc(c1)NC 34a_100000181407_200000210301 [0,1,1,0,0,0|0,0,0]=2 1984 B13R1.460 CCNC(=O)c1cccc(c1)NC 7a_100000181407_200000210301 [0,1,1,0,0,0|0,0,0]=2 1985 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 34a_100000181407_200025704644 [0,1,1,0,0,0|0,0,0]=2 1986 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 7a_100000181407_200025704644 [0,1,1,0,0,0|0,0,0]=2 1987 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [0,1,1,0,0,0|0,0,0]=2 1988 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [0,1,1,0,0,0|0,0,0]=2 1989 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [0,1,1,0,0,0|0,0,0]=2 1990 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [0,1,1,0,0,0|0,0,0]=2 1991 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [0,1,1,0,0,0|0,0,0]=2 1992 B13R1.460 CCNC(=O)c1cccc(c1)SC 11a_100015525214_100011217804 [0,1,1,0,0,0|0,0,0]=2 1993 B13R1.460 CCNC(=O)c1cccc(c1)SC 240690a_100015525214_100011217804 [0,1,1,0,0,0|0,0,0]=2 1994 B13R1.460 CCNC(=O)c1cccc(c1)SC 527a_100015525214_100011217804 [0,1,1,0,0,0|0,0,0]=2 1995 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_100000155180_200000210301 [0,1,1,0,0,0|0,0,0]=2 1996 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_200000210301_100000155180 [0,1,1,0,0,0|0,0,0]=2 1997 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_100000155180_200025704644 [0,1,1,0,0,0|0,0,0]=2 1998 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155180 [0,1,1,0,0,0|0,0,0]=2 1999 B13R1.460 CCNC(=O)c1ccnc(c1)NC 27a_100102657272_100000229823 [0,1,1,0,0,0|1,0,0]=3 2000 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_100000229823_200000210301 [0,1,1,0,0,0|1,0,0]=3 2001 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_200000210301_100000229823 [0,1,1,0,0,0|1,0,0]=3 2002 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_100000229823_200025704644 [0,1,1,0,0,0|1,0,0]=3 2003 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000229823 [0,1,1,0,0,0|1,0,0]=3 2004 B13R1.460 CCNC(=O)c1cncc(c1)NC 27a_100102657272_200000155184 [0,1,1,0,0,0|1,0,0]=3 2005 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000155184_200000210301 [0,1,1,0,0,0|1,0,0]=3 2006 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000210301_200000155184 [0,1,1,0,0,0|1,0,0]=3 2007 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200000155184_200025704644 [0,1,1,0,0,0|1,0,0]=3 2008 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155184 [0,1,1,0,0,0|1,0,0]=3 2009 B13R1.460 CCNC(C)c1cccc(c1)CC 269862a_100015525214_100011220055 [0,1,1,0,0,0|1,0,1]=4 2010 B13R1.460 CCNC(C)c1cccc(c1)OC 2230a_100000737859_100000210202 [0,1,1,0,0,0|1,0,1]=4 2011 B13R1.460 CCNC(C)c1cccc(c1)OC 269862a_100015525214_100000171656 [0,1,1,0,0,0|1,0,1]=4 2012 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_100010210110_200000210301 [0,1,1,0,0,0|2,0,0]=4 2013 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_200000210301_100010210110 [0,1,1,0,0,0|2,0,0]=4 2014 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_100010210110_200025704644 [0,1,1,0,0,0|2,0,0]=4 2015 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100010210110 [0,1,1,0,0,0|2,0,0]=4 2016 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [0,1,1,0,0,0|1,0,0]=3 2017 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [0,1,1,0,0,0|1,0,0]=3 2018 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [0,1,1,0,0,0|1,0,0]=3 2019 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [0,1,1,0,0,0|1,0,0]=3 2020 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [0,1,1,0,0,0|1,0,0]=3 2021 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [0,1,1,0,0,0|1,0,0]=3 2022 B13R1.460 CCOC(=O)c1cccc(n1)NC 27a_100102657272_100000695914 [0,1,1,0,0,0|2,0,0]=4 2023 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_100000695914_200000210301 [0,1,1,0,0,0|2,0,0]=4 2024 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_200000210301_100000695914 [0,1,1,0,0,0|2,0,0]=4 2025 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_100000695914_200025704644 [0,1,1,0,0,0|2,0,0]=4 2026 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000695914 [0,1,1,0,0,0|2,0,0]=4 2027 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_100012350809_200000210301 [0,1,1,0,0,0|2,0,0]=4 2028 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_200000210301_100011213083 [0,1,1,0,0,0|2,0,0]=4 2029 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_100012350809_200025704644 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011213083 [0,1,1,0,0,0|2,0,0]=4 2031 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [0,1,1,0,0,0|2,0,0]=4 2032 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [0,1,1,0,0,0|2,0,0]=4 2033 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_100000170250_200000210301 [0,1,1,0,0,0|2,0,0]=4 2034 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_200000210301_100000170250 [0,1,1,0,0,0|2,0,0]=4 2035 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_100000170250_200025704644 [0,1,1,0,0,0|2,0,0]=4 2036 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000170250 [0,1,1,0,0,0|2,0,0]=4 2037 B13R1.460 CCc1cccc(c1)C(=O)CCF 1458a_100011933908_100011217306 [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.460 CCc1cccc(c1)C(=O)NNC 22a_100016993582_100011933908 [0,1,1,0,0,0|1,0,0]=3 2040 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,1,1,0,0,0|2,0,0]=4 2041 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.460 CNNC(=O)c1cccc(c1)C#N 22a_100016993582_100000183950 [0,1,1,0,0,0|1,0,1]=4 2043 B13R1.460 CNNC(=O)c1cccc(c1)CO 22a_100016993582_100000746274 [0,1,1,0,0,0|1,0,0]=3 2044 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [0,1,1,0,0,0|1,0,0]=3 2045 B13R1.460 CNNC(=O)c1cccc(c1)SC 22a_100016993582_100011217804 [0,1,1,0,0,0|1,0,0]=3 2046 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [0,1,1,0,0,0|2,0,0]=4 2047 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [0,1,1,0,0,0|2,0,0]=4 2050 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [0,1,1,0,0,0|2,0,0]=4 2051 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [0,1,1,0,0,0|2,0,0]=4 2052 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [0,1,1,0,0,0|2,0,0]=4 2053 B13R1.460 CSc1cccc(c1)C(=O)CCF 1458a_100011217804_100011217306 [0,1,1,0,0,0|2,0,0]=4 2054 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [0,1,1,0,0,0|2,0,0]=4 2055 B13R1.460 O=C(CCF)c1cccc(c1)CO 1458a_100000746274_100011217306 [0,1,1,0,0,0|2,0,0]=4 2056 B13R1.460 O=C(CCO)c1cccc(c1)CO 1458a_100000746274_100000211926 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210303 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210303 [0,1,1,0,0,0|2,0,0]=4 2059 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210303 [0,1,1,0,0,0|2,0,0]=4 2060 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210303 [0,1,1,0,0,0|2,0,0]=4 2061 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210303 [0,1,1,0,0,0|2,0,0]=4 2062 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,1,1,0,0,0|2,0,0]=4 2063 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210303 [0,1,1,0,0,0|1,0,0]=3 2064 B13R1.466 CCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210303 [0,1,1,0,0,0|1,0,0]=3 2065 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [0,1,1,0,0,0|1,0,0]=3 2066 B13R1.466 CCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210303 [0,1,1,0,0,0|1,0,0]=3 2067 B13R1.466 CCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210303 [0,1,1,0,0,0|1,0,0]=3 2068 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,1,1,0,0,0|1,0,0]=3 2069 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,1,1,0,0,0|1,0,0]=3 2070 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210303 [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210303 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210303 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210303 [0,1,1,0,0,0|2,0,0]=4 2074 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210303 [0,1,1,0,0,0|2,0,0]=4 2075 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,1,1,0,0,0|2,0,0]=4 2076 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210303 [0,1,1,0,0,0|2,0,0]=4 2077 B13R1.466 CCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210303 [0,1,1,0,0,0|2,0,0]=4 2078 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210303 [0,1,1,0,0,0|2,0,0]=4 2079 B13R1.466 CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210303 [0,1,1,0,0,0|2,0,0]=4 2080 B13R1.466 CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210303 [0,1,1,0,0,0|2,0,0]=4 2081 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,1,1,0,0,0|2,0,0]=4 2082 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210303 [0,1,1,0,0,0|2,0,0]=4 2083 B13R1.466 CCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210303 [0,1,1,0,0,0|2,0,0]=4 2084 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210303 [0,1,1,0,0,0|2,0,0]=4 2085 B13R1.466 CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210303 [0,1,1,0,0,0|2,0,0]=4 2086 B13R1.466 CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210303 [0,1,1,0,0,0|2,0,0]=4 2087 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,1,1,0,0,0|2,0,0]=4 2088 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,1,1,0,0,0|2,0,0]=4 2089 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,1,1,0,0,0|2,0,0]=4 2091 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,1,1,0,0,0|2,0,0]=4 2092 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 11a_100015525214_100012339404 [0,1,1,0,0,0|1,0,0]=3 2095 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100015525214_100012339404 [0,1,1,0,0,0|1,0,0]=3 2096 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 527a_100015525214_100012339404 [0,1,1,0,0,0|1,0,0]=3 2097 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 11a_100015525214_100000186397 [0,1,1,0,0,0|1,0,0]=3 2098 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 240690a_100015525214_100000186397 [0,1,1,0,0,0|1,0,0]=3 2099 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 527a_100015525214_100000186397 [0,1,1,0,0,0|1,0,0]=3 2100 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 11a_100015525214_100000691181 [0,1,1,0,0,0|1,0,0]=3 2101 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100015525214_100000691181 [0,1,1,0,0,0|1,0,0]=3 2102 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100015525214_100000691181 [0,1,1,0,0,0|1,0,0]=3 2103 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 11a_100015525214_100000760357 [0,1,1,0,0,0|1,0,0]=3 2104 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 240690a_100015525214_100000760357 [0,1,1,0,0,0|1,0,0]=3 2105 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 527a_100015525214_100000760357 [0,1,1,0,0,0|1,0,0]=3 2106 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 11a_100015525214_100000739115 [0,1,1,0,0,0|1,0,0]=3 2107 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 240690a_100015525214_100000739115 [0,1,1,0,0,0|1,0,0]=3 2108 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 527a_100015525214_100000739115 [0,1,1,0,0,0|1,0,0]=3 2109 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [0,1,1,0,0,0|1,0,0]=3 2110 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 11a_100015525214_100000692631 [0,1,1,0,0,0|0,0,0]=2 2111 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 240690a_100015525214_100000692631 [0,1,1,0,0,0|0,0,0]=2 2112 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 527a_100015525214_100000692631 [0,1,1,0,0,0|0,0,0]=2 2113 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 11a_100015525214_100000210898 [0,1,1,0,0,0|0,0,0]=2 2114 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 240690a_100015525214_100000210898 [0,1,1,0,0,0|0,0,0]=2 2115 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 527a_100015525214_100000210898 [0,1,1,0,0,0|0,0,0]=2 2116 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 11a_100015525214_100000686306 [0,1,1,0,0,0|0,0,0]=2 2117 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 240690a_100015525214_100000686306 [0,1,1,0,0,0|0,0,0]=2 2118 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 527a_100015525214_100000686306 [0,1,1,0,0,0|0,0,0]=2 2119 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 11a_100015525214_100000751819 [0,1,1,0,0,0|0,0,0]=2 2120 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 240690a_100015525214_100000751819 [0,1,1,0,0,0|0,0,0]=2 2121 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 527a_100015525214_100000751819 [0,1,1,0,0,0|0,0,0]=2 2122 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 11a_100015525214_100000751300 [0,1,1,0,0,0|0,0,0]=2 2123 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 240690a_100015525214_100000751300 [0,1,1,0,0,0|0,0,0]=2 2124 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 527a_100015525214_100000751300 [0,1,1,0,0,0|0,0,0]=2 2125 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [0,1,1,0,0,0|0,0,0]=2 2126 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [0,1,1,0,0,0|0,0,0]=2 2127 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 11a_100015525214_100000687082 [0,1,1,0,0,0|1,0,0]=3 2128 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100015525214_100000687082 [0,1,1,0,0,0|1,0,0]=3 2129 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100015525214_100000687082 [0,1,1,0,0,0|1,0,0]=3 2130 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 11a_100015525214_100000751740 [0,1,1,0,0,0|1,0,0]=3 2131 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 240690a_100015525214_100000751740 [0,1,1,0,0,0|1,0,0]=3 2132 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 527a_100015525214_100000751740 [0,1,1,0,0,0|1,0,0]=3 2133 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100015525214_100000210401 [0,1,1,0,0,0|1,0,0]=3 2134 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100015525214_100000210401 [0,1,1,0,0,0|1,0,0]=3 2135 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100015525214_100000210401 [0,1,1,0,0,0|1,0,0]=3 2136 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 11a_100015525214_100000686462 [0,1,1,0,0,0|1,0,0]=3 2137 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100015525214_100000686462 [0,1,1,0,0,0|1,0,0]=3 2138 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 527a_100015525214_100000686462 [0,1,1,0,0,0|1,0,0]=3 2139 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 11a_100015525214_100000684831 [0,1,1,0,0,0|1,0,0]=3 2140 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100015525214_100000684831 [0,1,1,0,0,0|1,0,0]=3 2141 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 527a_100015525214_100000684831 [0,1,1,0,0,0|1,0,0]=3 2142 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [0,1,1,0,0,0|1,0,0]=3 2143 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [0,1,1,0,0,0|1,0,0]=3 2144 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 11a_100015525214_100000743946 [0,1,1,0,0,0|1,0,0]=3 2145 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 240690a_100015525214_100000743946 [0,1,1,0,0,0|1,0,0]=3 2146 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 527a_100015525214_100000743946 [0,1,1,0,0,0|1,0,0]=3 2147 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 11a_100015525214_100000212313 [0,1,1,0,0,0|1,0,0]=3 2148 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 240690a_100015525214_100000212313 [0,1,1,0,0,0|1,0,0]=3 2149 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 527a_100015525214_100000212313 [0,1,1,0,0,0|1,0,0]=3 2150 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 11a_100015525214_100000743183 [0,1,1,0,0,0|1,0,0]=3 2151 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100015525214_100000743183 [0,1,1,0,0,0|1,0,0]=3 2152 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 527a_100015525214_100000743183 [0,1,1,0,0,0|1,0,0]=3 2153 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 11a_100015525214_100000209822 [0,1,1,0,0,0|1,0,0]=3 2154 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 240690a_100015525214_100000209822 [0,1,1,0,0,0|1,0,0]=3 2155 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 527a_100015525214_100000209822 [0,1,1,0,0,0|1,0,0]=3 2156 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 11a_100015525214_100000062624 [0,1,1,0,0,0|1,0,0]=3 2157 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 240690a_100015525214_100000062624 [0,1,1,0,0,0|1,0,0]=3 2158 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 527a_100015525214_100000062624 [0,1,1,0,0,0|1,0,0]=3 2159 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [0,1,1,0,0,0|1,0,0]=3 2160 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [0,1,1,0,0,0|1,0,0]=3 2161 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 11a_100015525214_100012343876 [0,1,1,0,0,0|1,0,0]=3 2162 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 240690a_100015525214_100012343876 [0,1,1,0,0,0|1,0,0]=3 2163 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 527a_100015525214_100012343876 [0,1,1,0,0,0|1,0,0]=3 2164 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 11a_100015525214_100000751299 [0,1,1,0,0,0|1,0,0]=3 2165 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 240690a_100015525214_100000751299 [0,1,1,0,0,0|1,0,0]=3 2166 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 527a_100015525214_100000751299 [0,1,1,0,0,0|1,0,0]=3 2167 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 11a_100015525214_100000739381 [0,1,1,0,0,0|1,0,0]=3 2168 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100015525214_100000739381 [0,1,1,0,0,0|1,0,0]=3 2169 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 527a_100015525214_100000739381 [0,1,1,0,0,0|1,0,0]=3 2170 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 11a_100015525214_100000688015 [0,1,1,0,0,0|1,0,0]=3 2171 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 240690a_100015525214_100000688015 [0,1,1,0,0,0|1,0,0]=3 2172 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 527a_100015525214_100000688015 [0,1,1,0,0,0|1,0,0]=3 2173 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 11a_100015525214_100000725830 [0,1,1,0,0,0|1,0,0]=3 2174 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 240690a_100015525214_100000725830 [0,1,1,0,0,0|1,0,0]=3 2175 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 527a_100015525214_100000725830 [0,1,1,0,0,0|1,0,0]=3 2176 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [0,1,1,0,0,0|1,0,0]=3 2177 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [0,1,1,0,0,0|1,0,0]=3 2178 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [0,1,1,0,0,0|1,0,0]=3 2179 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [0,1,1,0,0,0|1,0,0]=3 2180 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [0,1,1,0,0,0|1,0,0]=3 2181 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [0,1,1,0,0,0|1,0,0]=3 2182 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [0,1,1,0,0,0|1,0,0]=3 2183 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [0,1,1,0,0,0|1,0,0]=3 2184 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [0,1,1,0,0,0|1,0,0]=3 2185 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [0,1,1,0,0,0|1,0,0]=3 2186 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [0,1,1,0,0,0|1,0,0]=3 2187 B13R1.466 CCNC(C)c1ccc(c(c1)C)Br 269862a_100015525214_100000697869 [0,1,1,0,0,0|1,0,1]=4 2188 B13R1.466 CCNC(C)c1ccc(c(c1)C)C 269862a_100015525214_100000210971 [0,1,1,0,0,0|1,0,1]=4 2189 B13R1.466 CCNC(C)c1ccc(c(c1)C)Cl 269862a_100015525214_100011216000 [0,1,1,0,0,0|1,0,1]=4 2190 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 2230a_100000705826_100000210202 [0,1,1,0,0,0|1,0,1]=4 2191 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 269862a_100015525214_100000754758 [0,1,1,0,0,0|1,0,1]=4 2192 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 34a_100000705826_100000210202 [0,1,1,0,0,0|1,0,1]=4 2193 B13R1.466 CCNC(C)c1ccc(c(c1)C)O 269862a_100015525214_100000188726 [0,1,1,0,0,0|1,0,1]=4 2194 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_100000210202 [0,1,1,0,0,0|1,0,1]=4 2195 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100000210202 [0,1,1,0,0,0|1,0,1]=4 2196 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [0,1,1,0,0,0|2,0,0]=4 2197 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [0,1,1,0,0,0|1,0,0]=3 2198 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [0,1,1,0,0,0|2,0,0]=4 2199 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [0,1,1,0,0,0|2,0,0]=4 2200 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [0,1,1,0,0,0|2,0,0]=4 2201 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [0,1,1,0,0,0|2,0,0]=4 2202 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [0,1,1,0,0,0|2,0,0]=4 2203 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [0,1,1,0,0,0|2,0,0]=4 2204 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,1,1,0,0,0|2,0,0]=4 2205 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,1,1,0,0,0|2,0,0]=4 2206 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,1,1,0,0,0|2,0,0]=4 2207 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,1,1,0,0,0|2,0,0]=4 2208 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,1,1,0,0,0|2,0,0]=4 2209 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Br 22a_100016993582_100012339404 [0,1,1,0,0,0|2,0,0]=4 2210 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)C 22a_100016993582_100000186397 [0,1,1,0,0,0|2,0,0]=4 2211 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Cl 22a_100016993582_100000691181 [0,1,1,0,0,0|2,0,0]=4 2212 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)F 22a_100016993582_100000760357 [0,1,1,0,0,0|2,0,0]=4 2213 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)I 22a_100016993582_100000739115 [0,1,1,0,0,0|2,0,0]=4 2214 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,1,1,0,0,0|2,0,0]=4 2215 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Br 22a_100016993582_100000692631 [0,1,1,0,0,0|1,0,0]=3 2216 B13R1.466 CNNC(=O)c1ccc(c(c1)C)C 22a_100016993582_100000210898 [0,1,1,0,0,0|1,0,0]=3 2217 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Cl 22a_100016993582_100000686306 [0,1,1,0,0,0|1,0,0]=3 2218 B13R1.466 CNNC(=O)c1ccc(c(c1)C)F 22a_100016993582_100000751819 [0,1,1,0,0,0|1,0,0]=3 2219 B13R1.466 CNNC(=O)c1ccc(c(c1)C)I 22a_100016993582_100000751300 [0,1,1,0,0,0|1,0,0]=3 2220 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,1,1,0,0,0|1,0,0]=3 2221 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Br 22a_100016993582_100000687082 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)C 22a_100016993582_100000751740 [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100016993582_100000210401 [0,1,1,0,0,0|2,0,0]=4 2224 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)F 22a_100016993582_100000686462 [0,1,1,0,0,0|2,0,0]=4 2225 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)I 22a_100016993582_100000684831 [0,1,1,0,0,0|2,0,0]=4 2226 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,1,1,0,0,0|2,0,0]=4 2227 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Br 22a_100016993582_100000743946 [0,1,1,0,0,0|2,0,0]=4 2228 B13R1.466 CNNC(=O)c1ccc(c(c1)F)C 22a_100016993582_100000212313 [0,1,1,0,0,0|2,0,0]=4 2229 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Cl 22a_100016993582_100000743183 [0,1,1,0,0,0|2,0,0]=4 2230 B13R1.466 CNNC(=O)c1ccc(c(c1)F)F 22a_100016993582_100000209822 [0,1,1,0,0,0|2,0,0]=4 2231 B13R1.466 CNNC(=O)c1ccc(c(c1)F)I 22a_100016993582_100000062624 [0,1,1,0,0,0|2,0,0]=4 2232 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,1,1,0,0,0|2,0,0]=4 2233 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Br 22a_100016993582_100012343876 [0,1,1,0,0,0|2,0,0]=4 2234 B13R1.466 CNNC(=O)c1ccc(c(c1)I)C 22a_100016993582_100000751299 [0,1,1,0,0,0|2,0,0]=4 2235 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Cl 22a_100016993582_100000739381 [0,1,1,0,0,0|2,0,0]=4 2236 B13R1.466 CNNC(=O)c1ccc(c(c1)I)F 22a_100016993582_100000688015 [0,1,1,0,0,0|2,0,0]=4 2237 B13R1.466 CNNC(=O)c1ccc(c(c1)I)I 22a_100016993582_100000725830 [0,1,1,0,0,0|2,0,0]=4 2238 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,1,1,0,0,0|2,0,0]=4 2239 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,1,1,0,0,0|2,0,0]=4 2240 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,1,1,0,0,0|2,0,0]=4 2241 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,1,1,0,0,0|2,0,0]=4 2242 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,1,1,0,0,0|2,0,0]=4 2243 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,1,1,0,0,0|2,0,0]=4 2244 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_200000210301 [0,1,1,0,0,0|2,0,0]=4 2245 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_200000210301_100000183365 [0,1,1,0,0,0|2,0,0]=4 2246 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200000210301_200011216723 [0,1,1,0,0,0|2,0,0]=4 2247 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_200000210301 [0,1,1,0,0,0|2,0,0]=4 2248 B13R1.466 Cc1cc(ccc1Br)C(=O)CCF 1458a_100000692631_100011217306 [0,1,1,0,0,0|2,0,0]=4 2249 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [0,1,1,0,0,0|2,0,0]=4 2250 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCF 1458a_100000686306_100011217306 [0,1,1,0,0,0|2,0,0]=4 2251 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [0,1,1,0,0,0|2,0,0]=4 2252 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200011216723_200025704644 [0,1,1,0,0,0|2,0,0]=4 2253 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200025704644_200011216723 [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.466 Cc1cc(ccc1F)C(=O)CCF 1458a_100000751819_100011217306 [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [0,1,1,0,0,0|2,0,0]=4 2256 B13R1.466 Cc1cc(ccc1I)C(=O)CCF 1458a_100000751300_100011217306 [0,1,1,0,0,0|2,0,0]=4 2257 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [0,1,1,0,0,0|2,0,0]=4 2258 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [0,1,1,0,0,0|2,0,0]=4 2259 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [0,1,1,0,0,0|2,0,0]=4 2260 B13R1.466 Cc1ccc(cc1C)C(=O)CCF 1458a_100000210898_100011217306 [0,1,1,0,0,0|2,0,0]=4 2261 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [0,1,1,0,0,0|2,0,0]=4 2262 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_100000183365_200025704644 [0,1,1,0,0,0|2,0,0]=4 2263 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_200025704644_100000183365 [0,1,1,0,0,0|2,0,0]=4 2264 B13R1.7 CNS(=O)(=O)c1cccc(c1Br)C 270084a_100102657272_100000690207 [0,1,1,0,0,0|2,0,0]=4 2265 B13R1.7 CNS(=O)(=O)c1cccc(c1Br)C 274078a_100102657272_100000690207 [0,1,1,0,0,0|2,0,0]=4 2266 B13R1.7 CNS(=O)(=O)c1cccc(c1C)Br 270084a_100102657272_100000765892 [0,1,1,0,0,0|2,0,0]=4 2267 B13R1.7 CNS(=O)(=O)c1cccc(c1C)Br 274078a_100102657272_100000765892 [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.7 CNS(=O)(=O)c1cccc(c1C)Cl 270084a_100102657272_100000739340 [0,1,1,0,0,0|2,0,0]=4 2269 B13R1.7 CNS(=O)(=O)c1cccc(c1C)Cl 274078a_100102657272_100000739340 [0,1,1,0,0,0|2,0,0]=4 2270 B13R1.7 CNS(=O)(=O)c1cccc(c1C)F 270084a_100102657272_100000764228 [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.7 CNS(=O)(=O)c1cccc(c1C)F 274078a_100102657272_100000764228 [0,1,1,0,0,0|2,0,0]=4 2272 B13R1.82 C=Cc1cccc(c1C)C(=O)NN 271570a_100011290941_200012298103 [0,1,1,0,0,0|1,0,1]=4 2273 B13R1.82 C=Cc1cccc(c1C)C(=O)OC 271570a_100011290941_100012298220 [0,1,1,0,0,0|1,0,1]=4 2274 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [0,1,1,0,0,0|2,0,0]=4 2275 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [0,1,1,0,0,0|1,0,0]=3 2276 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [0,1,1,0,0,0|2,0,0]=4 2278 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [0,1,1,0,0,0|2,0,0]=4 2280 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [0,1,1,0,0,0|2,0,0]=4 2281 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [0,1,1,0,0,0|1,0,0]=3 2282 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [0,1,1,0,0,0|1,0,0]=3 2283 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [0,1,1,0,0,0|1,0,0]=3 2284 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [0,1,1,0,0,0|1,0,0]=3 2285 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [0,1,1,0,0,0|0,0,0]=2 2286 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [0,1,1,0,0,0|0,0,0]=2 2287 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [0,1,1,0,0,0|0,0,0]=2 2288 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [0,1,1,0,0,0|0,0,0]=2 2289 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [0,1,1,0,0,0|0,0,0]=2 2290 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [0,1,1,0,0,0|0,0,0]=2 2291 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 11a_106832991635_100009860865 [0,1,1,0,0,0|1,0,1]=4 2292 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 1626a_100102657272_100009860865 [0,1,1,0,0,0|1,0,1]=4 2293 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 527a_100102657272_100009860865 [0,1,1,0,0,0|1,0,1]=4 2294 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [0,1,1,0,0,0|1,0,0]=3 2295 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [0,1,1,0,0,0|1,0,0]=3 2296 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [0,1,1,0,0,0|1,0,0]=3 2297 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [0,1,1,0,0,0|1,0,0]=3 2298 B13R1.82 CNC(=O)c1cccc(c1F)C#N 11a_106832991635_100011999812 [0,1,1,0,0,0|1,0,1]=4 2299 B13R1.82 CNC(=O)c1cccc(c1F)C#N 1626a_100102657272_100011999812 [0,1,1,0,0,0|1,0,1]=4 2300 B13R1.82 CNC(=O)c1cccc(c1F)C#N 240690a_100102657272_100011999812 [0,1,1,0,0,0|1,0,1]=4 2301 B13R1.82 CNC(=O)c1cccc(c1F)C#N 527a_100102657272_100011999812 [0,1,1,0,0,0|1,0,1]=4 2302 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [0,1,1,0,0,0|1,0,0]=3 2303 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [0,1,1,0,0,0|1,0,0]=3 2304 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [0,1,1,0,0,0|1,0,0]=3 2305 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [0,1,1,0,0,0|1,0,0]=3 2306 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [0,1,1,0,0,0|1,0,0]=3 2307 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [0,1,1,0,0,0|1,0,0]=3 2308 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [0,1,1,0,0,0|1,0,0]=3 2309 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [0,1,1,0,0,0|1,0,0]=3 2310 B13R1.82 CNC(=O)c1cccc(c1O)C#N 527a_100102657272_100009886288 [0,1,1,0,0,0|1,0,1]=4 2311 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [0,1,1,0,0,0|1,0,0]=3 2312 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [0,1,1,0,0,0|1,0,0]=3 2313 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [0,1,1,0,0,0|2,0,0]=4 2314 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [0,1,1,0,0,0|2,0,0]=4 2315 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [0,1,1,0,0,0|2,0,0]=4 2316 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [0,1,1,0,0,0|2,0,0]=4 2317 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_100010240208_200000210301 [0,1,1,0,0,0|2,0,0]=4 2318 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_200000210301_100010240208 [0,1,1,0,0,0|2,0,0]=4 2319 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_100010240208_200025704644 [0,1,1,0,0,0|2,0,0]=4 2320 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_200025704644_100010240208 [0,1,1,0,0,0|2,0,0]=4 2321 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [0,1,1,0,0,0|1,0,0]=3 2322 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [0,1,1,0,0,0|1,0,0]=3 2323 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [0,1,1,0,0,0|1,0,0]=3 2324 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [0,1,1,0,0,0|1,0,0]=3 2325 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_100012298220_200000210301 [0,1,1,0,0,0|1,0,0]=3 2326 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_200000210301_100012298220 [0,1,1,0,0,0|1,0,0]=3 2327 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_100012298220_200025704644 [0,1,1,0,0,0|1,0,0]=3 2328 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012298220 [0,1,1,0,0,0|1,0,0]=3 2329 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [0,1,1,0,0,0|2,0,0]=4 2330 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [0,1,1,0,0,0|2,0,0]=4 2331 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [0,1,1,0,0,0|2,0,0]=4 2332 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [0,1,1,0,0,0|2,0,0]=4 2333 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [0,1,1,0,0,0|2,0,0]=4 2334 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [0,1,1,0,0,0|2,0,0]=4 2335 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [0,1,1,0,0,0|2,0,0]=4 2336 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [0,1,1,0,0,0|2,0,0]=4 2337 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_100012355674_200000210301 [0,1,1,0,0,0|2,0,0]=4 2338 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_200000210301_100012355674 [0,1,1,0,0,0|2,0,0]=4 2339 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_100012355674_200025704644 [0,1,1,0,0,0|2,0,0]=4 2340 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355674 [0,1,1,0,0,0|2,0,0]=4 2341 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [0,1,1,0,0,0|2,0,0]=4 2342 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [0,1,1,0,0,0|2,0,0]=4 2343 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [0,1,1,0,0,0|2,0,0]=4 2344 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [0,1,1,0,0,0|2,0,0]=4 2345 B13R1.82 COC(=O)c1cccc(c1N)SC 62a_100011356556_200000210301 [0,1,1,0,0,0|2,0,0]=4 2346 B13R1.82 COC(=O)c1cccc(c1N)S[13CH3] 62a_100011356556_200025704644 [0,1,1,0,0,0|2,0,0]=4 2347 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [0,1,1,0,0,0|2,0,0]=4 2349 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [0,1,1,0,0,0|2,0,0]=4 2350 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_100000087782_200000210301 [0,1,1,0,0,0|2,0,0]=4 2351 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_200000210301_100000087782 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_100000087782_200025704644 [0,1,1,0,0,0|2,0,0]=4 2353 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_200025704644_100000087782 [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_100010713144_200000210301 [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_200000210301_100010713144 [0,1,1,0,0,0|2,0,0]=4 2356 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_100010713144_200025704644 [0,1,1,0,0,0|2,0,0]=4 2357 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_200025704644_100010713144 [0,1,1,0,0,0|2,0,0]=4 2358 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_100000094583_200000210301 [0,1,1,0,0,0|2,0,0]=4 2359 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_200000210301_100000094583 [0,1,1,0,0,0|2,0,0]=4 2360 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_100000094583_200025704644 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_200025704644_100000094583 [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.82 COc1cccc(c1C)C(=O)CF 1458a_100011217801_100015361967 [0,1,1,0,0,0|2,0,0]=4 2363 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200000210301_200012298103 [0,1,1,0,0,0|1,0,0]=3 2364 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200012298103_200000210301 [0,1,1,0,0,0|1,0,0]=3 2365 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200012298103_200025704644 [0,1,1,0,0,0|1,0,0]=3 2366 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200025704644_200012298103 [0,1,1,0,0,0|1,0,0]=3 2367 B13R1.107 C=Cc1c(cccc1C(=O)OC)C 271570a_100011290941_100012002529 [0,1,1,0,0,0|1,0,1]=4 2368 B13R1.107 CCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210202 [0,1,1,0,0,0|2,0,0]=4 2369 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,1,1,0,0,0|1,0,0]=3 2371 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,1,1,0,0,0|2,0,0]=4 2372 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,1,1,0,0,0|2,0,0]=4 2373 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,1,1,0,0,0|2,0,0]=4 2374 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,1,1,0,0,0|1,0,0]=3 2375 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,1,1,0,0,0|1,0,0]=3 2376 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,1,1,0,0,0|1,0,0]=3 2377 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,1,1,0,0,0|1,0,0]=3 2378 B13R1.107 CNC(=O)c1cccc(c1C#N)F 240690a_100102657272_100000702252 [0,1,1,0,0,0|1,0,1]=4 2379 B13R1.107 CNC(=O)c1cccc(c1C#N)F 527a_100102657272_100000702252 [0,1,1,0,0,0|1,0,1]=4 2380 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [0,1,1,0,0,0|0,0,0]=2 2381 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [0,1,1,0,0,0|1,0,0]=3 2382 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [0,1,1,0,0,0|0,0,0]=2 2383 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [0,1,1,0,0,0|1,0,0]=3 2384 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,1,1,0,0,0|1,0,0]=3 2385 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,1,1,0,0,0|1,0,0]=3 2386 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,1,1,0,0,0|1,0,0]=3 2387 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,1,1,0,0,0|1,0,0]=3 2388 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,1,1,0,0,0|0,0,0]=2 2389 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,1,1,0,0,0|0,0,0]=2 2390 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,1,1,0,0,0|0,0,0]=2 2391 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,1,1,0,0,0|0,0,0]=2 2392 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,1,1,0,0,0|1,0,0]=3 2393 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,1,1,0,0,0|1,0,0]=3 2394 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,1,1,0,0,0|1,0,0]=3 2395 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,1,1,0,0,0|1,0,0]=3 2396 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,1,1,0,0,0|1,0,0]=3 2397 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,1,1,0,0,0|1,0,0]=3 2398 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,1,1,0,0,0|1,0,0]=3 2399 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,1,1,0,0,0|1,0,0]=3 2400 B13R1.107 CNC(C)c1cccc(c1OC)C 269862a_106832991636_100000101305 [0,1,1,0,0,0|1,0,1]=4 2401 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,1,1,0,0,0|2,0,0]=4 2402 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,1,1,0,0,0|1,0,0]=3 2403 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,1,1,0,0,0|1,0,0]=3 2404 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,1,1,0,0,0|2,0,0]=4 2405 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,1,1,0,0,0|2,0,0]=4 2406 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,1,1,0,0,0|2,0,0]=4 2407 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,1,1,0,0,0|2,0,0]=4 2408 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,1,1,0,0,0|2,0,0]=4 2409 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,1,1,0,0,0|2,0,0]=4 2410 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,1,1,0,0,0|2,0,0]=4 2411 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,1,1,0,0,0|1,0,0]=3 2412 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,1,1,0,0,0|1,0,0]=3 2413 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,1,1,0,0,0|2,0,0]=4 2414 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,1,1,0,0,0|2,0,0]=4 2415 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,1,1,0,0,0|2,0,0]=4 2416 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,1,1,0,0,0|2,0,0]=4 2417 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,1,1,0,0,0|2,0,0]=4 2418 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_100010150843_200000210301 [0,1,1,0,0,0|2,0,0]=4 2419 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_200000210301_100010150843 [0,1,1,0,0,0|2,0,0]=4 2420 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_100012002529_200000210301 [0,1,1,0,0,0|1,0,0]=3 2421 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_200000210301_100012002529 [0,1,1,0,0,0|1,0,0]=3 2422 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_100012357630_200000210301 [0,1,1,0,0,0|2,0,0]=4 2423 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_200000210301_100012357630 [0,1,1,0,0,0|2,0,0]=4 2424 B13R1.107 COC(=O)c1cccc(c1SC)N 62a_100000719424_200000210301 [0,1,1,0,0,0|2,0,0]=4 2425 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [0,1,1,0,0,0|2,0,0]=4 2426 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [0,1,1,0,0,0|2,0,0]=4 2427 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_100010150843_200025704644 [0,1,1,0,0,0|2,0,0]=4 2428 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_200025704644_100010150843 [0,1,1,0,0,0|2,0,0]=4 2429 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_100012002529_200025704644 [0,1,1,0,0,0|1,0,0]=3 2430 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_100012002529 [0,1,1,0,0,0|1,0,0]=3 2431 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_100012357630_200025704644 [0,1,1,0,0,0|2,0,0]=4 2432 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357630 [0,1,1,0,0,0|2,0,0]=4 2433 B13R1.107 COC(=O)c1cccc(c1S[13CH3])N 62a_100000719424_200025704644 [0,1,1,0,0,0|2,0,0]=4 2434 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [0,1,1,0,0,0|2,0,0]=4 2435 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [0,1,1,0,0,0|2,0,0]=4 2436 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,1,1,0,0,0|2,0,0]=4 2437 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,1,1,0,0,0|1,0,0]=3 2438 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200000210301_200012340524 [0,1,1,0,0,0|1,0,0]=3 2439 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200012340524_200000210301 [0,1,1,0,0,0|1,0,0]=3 2440 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,1,1,0,0,0|1,0,0]=3 2441 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200012340524_200025704644 [0,1,1,0,0,0|1,0,0]=3 2442 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200025704644_200012340524 [0,1,1,0,0,0|1,0,0]=3 2443 B13R1.1808 CCC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_100000210202 [0,1,1,0,0,0|2,0,0]=4 2444 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_100000210202 [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_100000210202 [0,1,1,0,0,0|2,0,0]=4 2446 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_100000210202 [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_100000210202 [0,1,1,0,0,0|2,0,0]=4 2448 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_100000210202 [0,1,1,0,0,0|2,0,0]=4 2449 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_100000210202 [0,1,1,0,0,0|2,0,0]=4 2450 B13R1.1808 CCC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_100000210202 [0,1,1,0,0,0|2,0,0]=4 2451 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [0,1,1,0,0,0|2,0,0]=4 2452 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 11a_106832991635_100012356454 [0,1,1,0,0,0|2,0,0]=4 2453 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 1626a_100102657272_100012356454 [0,1,1,0,0,0|2,0,0]=4 2454 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 240690a_100102657272_100012356454 [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 527a_100102657272_100012356454 [0,1,1,0,0,0|2,0,0]=4 2456 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [0,1,1,0,0,0|2,0,0]=4 2457 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 11a_106832991635_100000061971 [0,1,1,0,0,0|1,0,0]=3 2459 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 1626a_100102657272_100000061971 [0,1,1,0,0,0|1,0,0]=3 2460 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 240690a_100102657272_100000061971 [0,1,1,0,0,0|1,0,0]=3 2461 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 527a_100102657272_100000061971 [0,1,1,0,0,0|1,0,0]=3 2462 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 11a_106832991635_100010208263 [0,1,1,0,0,0|2,0,0]=4 2463 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 1626a_100102657272_100010208263 [0,1,1,0,0,0|2,0,0]=4 2464 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 240690a_100102657272_100010208263 [0,1,1,0,0,0|2,0,0]=4 2465 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 527a_100102657272_100010208263 [0,1,1,0,0,0|2,0,0]=4 2466 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 11a_106832991635_100010074829 [0,1,1,0,0,0|1,0,0]=3 2467 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 1626a_100102657272_100010074829 [0,1,1,0,0,0|1,0,0]=3 2468 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 240690a_100102657272_100010074829 [0,1,1,0,0,0|1,0,0]=3 2469 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 527a_100102657272_100010074829 [0,1,1,0,0,0|1,0,0]=3 2470 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 11a_106832991635_100000061447 [0,1,1,0,0,0|1,0,0]=3 2471 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 1626a_100102657272_100000061447 [0,1,1,0,0,0|1,0,0]=3 2472 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 240690a_100102657272_100000061447 [0,1,1,0,0,0|1,0,0]=3 2473 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 527a_100102657272_100000061447 [0,1,1,0,0,0|1,0,0]=3 2474 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 11a_106832991635_200012347731 [0,1,1,0,0,0|2,0,0]=4 2475 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 1626a_100102657272_200012347731 [0,1,1,0,0,0|2,0,0]=4 2476 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 240690a_100102657272_200012347731 [0,1,1,0,0,0|2,0,0]=4 2477 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 527a_100102657272_200012347731 [0,1,1,0,0,0|2,0,0]=4 2478 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 11a_106832991635_100010209669 [0,1,1,0,0,0|2,0,0]=4 2479 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 1626a_100102657272_100010209669 [0,1,1,0,0,0|2,0,0]=4 2480 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 240690a_100102657272_100010209669 [0,1,1,0,0,0|2,0,0]=4 2481 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 527a_100102657272_100010209669 [0,1,1,0,0,0|2,0,0]=4 2482 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 11a_106832991635_200010192171 [0,1,1,0,0,0|2,0,0]=4 2483 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 1626a_100102657272_200010192171 [0,1,1,0,0,0|2,0,0]=4 2484 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 240690a_100102657272_200010192171 [0,1,1,0,0,0|2,0,0]=4 2485 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 527a_100102657272_200010192171 [0,1,1,0,0,0|2,0,0]=4 2486 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 11a_106832991635_100009888510 [0,1,1,0,0,0|2,0,0]=4 2487 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 1626a_100102657272_100009888510 [0,1,1,0,0,0|2,0,0]=4 2488 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 240690a_100102657272_100009888510 [0,1,1,0,0,0|2,0,0]=4 2489 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 527a_100102657272_100009888510 [0,1,1,0,0,0|2,0,0]=4 2490 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,1,1,0,0,0|2,0,0]=4 2491 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 11a_106832991635_200016032200 [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 1626a_100102657272_200016032200 [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 240690a_100102657272_200016032200 [0,1,1,0,0,0|2,0,0]=4 2494 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 527a_100102657272_200016032200 [0,1,1,0,0,0|2,0,0]=4 2495 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 11a_106832991635_100010204296 [0,1,1,0,0,0|2,0,0]=4 2496 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 1626a_100102657272_100010204296 [0,1,1,0,0,0|2,0,0]=4 2497 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 240690a_100102657272_100010204296 [0,1,1,0,0,0|2,0,0]=4 2498 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 527a_100102657272_100010204296 [0,1,1,0,0,0|2,0,0]=4 2499 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 11a_106832991635_100000722919 [0,1,1,0,0,0|1,0,0]=3 2500 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 1626a_100102657272_100000722919 [0,1,1,0,0,0|1,0,0]=3 2501 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 240690a_100102657272_100000722919 [0,1,1,0,0,0|1,0,0]=3 2502 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 527a_100102657272_100000722919 [0,1,1,0,0,0|1,0,0]=3 2503 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [0,1,1,0,0,0|1,0,0]=3 2504 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [0,1,1,0,0,0|1,0,0]=3 2505 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [0,1,1,0,0,0|1,0,0]=3 2506 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [0,1,1,0,0,0|1,0,0]=3 2507 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 11a_106832991635_100012183103 [0,1,1,0,0,0|1,0,0]=3 2508 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 1626a_100102657272_100012183103 [0,1,1,0,0,0|1,0,0]=3 2509 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 240690a_100102657272_100012183103 [0,1,1,0,0,0|1,0,0]=3 2510 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 527a_100102657272_100012183103 [0,1,1,0,0,0|1,0,0]=3 2511 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 11a_106832991635_100000067293 [0,1,1,0,0,0|1,0,0]=3 2512 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 1626a_100102657272_100000067293 [0,1,1,0,0,0|1,0,0]=3 2513 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 240690a_100102657272_100000067293 [0,1,1,0,0,0|1,0,0]=3 2514 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 527a_100102657272_100000067293 [0,1,1,0,0,0|1,0,0]=3 2515 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 11a_106832991635_100000719840 [0,1,1,0,0,0|2,0,0]=4 2516 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 1626a_100102657272_100000719840 [0,1,1,0,0,0|2,0,0]=4 2517 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 240690a_100102657272_100000719840 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 527a_100102657272_100000719840 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 11a_106832991635_100000722910 [0,1,1,0,0,0|2,0,0]=4 2520 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 1626a_100102657272_100000722910 [0,1,1,0,0,0|2,0,0]=4 2521 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 240690a_100102657272_100000722910 [0,1,1,0,0,0|2,0,0]=4 2522 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 527a_100102657272_100000722910 [0,1,1,0,0,0|2,0,0]=4 2523 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 11a_106832991635_100000034381 [0,1,1,0,0,0|2,0,0]=4 2524 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 1626a_100102657272_100000034381 [0,1,1,0,0,0|2,0,0]=4 2525 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 240690a_100102657272_100000034381 [0,1,1,0,0,0|2,0,0]=4 2526 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 527a_100102657272_100000034381 [0,1,1,0,0,0|2,0,0]=4 2527 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 11a_106832991635_100009816880 [0,1,1,0,0,0|2,0,0]=4 2528 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 1626a_100102657272_100009816880 [0,1,1,0,0,0|2,0,0]=4 2529 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 240690a_100102657272_100009816880 [0,1,1,0,0,0|2,0,0]=4 2530 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 527a_100102657272_100009816880 [0,1,1,0,0,0|2,0,0]=4 2531 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 11a_106832991635_100011219789 [0,1,1,0,0,0|2,0,0]=4 2532 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 1626a_100102657272_100011219789 [0,1,1,0,0,0|2,0,0]=4 2533 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 240690a_100102657272_100011219789 [0,1,1,0,0,0|2,0,0]=4 2534 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 527a_100102657272_100011219789 [0,1,1,0,0,0|2,0,0]=4 2535 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 11a_106832991635_100000085317 [0,1,1,0,0,0|2,0,0]=4 2536 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 1626a_100102657272_100000085317 [0,1,1,0,0,0|2,0,0]=4 2537 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 240690a_100102657272_100000085317 [0,1,1,0,0,0|2,0,0]=4 2538 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 527a_100102657272_100000085317 [0,1,1,0,0,0|2,0,0]=4 2539 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 11a_106832991635_100000766628 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 1626a_100102657272_100000766628 [0,1,1,0,0,0|2,0,0]=4 2541 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 240690a_100102657272_100000766628 [0,1,1,0,0,0|2,0,0]=4 2542 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 527a_100102657272_100000766628 [0,1,1,0,0,0|2,0,0]=4 2543 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 11a_106832991635_100010177778 [0,1,1,0,0,0|2,0,0]=4 2544 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 1626a_100102657272_100010177778 [0,1,1,0,0,0|2,0,0]=4 2545 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 240690a_100102657272_100010177778 [0,1,1,0,0,0|2,0,0]=4 2546 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 527a_100102657272_100010177778 [0,1,1,0,0,0|2,0,0]=4 2547 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [0,1,1,0,0,0|2,0,0]=4 2548 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [0,1,1,0,0,0|2,0,0]=4 2549 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [0,1,1,0,0,0|1,0,0]=3 2550 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [0,1,1,0,0,0|1,0,0]=3 2551 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [0,1,1,0,0,0|1,0,0]=3 2552 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [0,1,1,0,0,0|1,0,0]=3 2553 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [0,1,1,0,0,0|1,0,0]=3 2554 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [0,1,1,0,0,0|1,0,0]=3 2555 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 240690a_100102657272_100010761495 [0,1,1,0,0,0|2,0,0]=4 2556 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 527a_100102657272_100010761495 [0,1,1,0,0,0|2,0,0]=4 2557 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)F 240690a_100102657272_100011799213 [0,1,1,0,0,0|2,0,0]=4 2558 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [0,1,1,0,0,0|1,0,0]=3 2559 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [0,1,1,0,0,0|2,0,0]=4 2560 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [0,1,1,0,0,0|2,0,0]=4 2561 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [0,1,1,0,0,0|2,0,0]=4 2562 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,1,1,0,0,0|2,0,0]=4 2563 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [0,1,1,0,0,0|2,0,0]=4 2564 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [0,1,1,0,0,0|2,0,0]=4 2565 B13R1.1822 CCC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_100000210202 [0,1,1,0,0,0|2,0,0]=4 2566 B13R1.1822 CCC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_100000210202 [0,1,1,0,0,0|2,0,0]=4 2567 B13R1.1822 CCC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_100000210202 [0,1,1,0,0,0|2,0,0]=4 2568 B13R1.1822 CCC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_100000210202 [0,1,1,0,0,0|2,0,0]=4 2569 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_100000210202 [0,1,1,0,0,0|2,0,0]=4 2570 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_100000210202 [0,1,1,0,0,0|2,0,0]=4 2571 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_100000210202 [0,1,1,0,0,0|2,0,0]=4 2572 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_100000210202 [0,1,1,0,0,0|2,0,0]=4 2573 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_100000210202 [0,1,1,0,0,0|2,0,0]=4 2574 B13R1.1822 CCC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_100000210202 [0,1,1,0,0,0|2,0,0]=4 2575 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 11a_106832991635_100000720849 [0,1,1,0,0,0|1,0,0]=3 2576 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 1626a_100102657272_100000720849 [0,1,1,0,0,0|1,0,0]=3 2577 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 240690a_100102657272_100000720849 [0,1,1,0,0,0|1,0,0]=3 2578 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 527a_100102657272_100000720849 [0,1,1,0,0,0|1,0,0]=3 2579 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 11a_106832991635_100010245744 [0,1,1,0,0,0|2,0,0]=4 2580 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 1626a_100102657272_100010245744 [0,1,1,0,0,0|2,0,0]=4 2581 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 240690a_100102657272_100010245744 [0,1,1,0,0,0|2,0,0]=4 2582 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 527a_100102657272_100010245744 [0,1,1,0,0,0|2,0,0]=4 2583 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 11a_106832991635_100012355652 [0,1,1,0,0,0|1,0,0]=3 2584 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 1626a_100102657272_100012355652 [0,1,1,0,0,0|1,0,0]=3 2585 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 240690a_100102657272_100012355652 [0,1,1,0,0,0|1,0,0]=3 2586 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 527a_100102657272_100012355652 [0,1,1,0,0,0|1,0,0]=3 2587 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 11a_106832991635_100010768519 [0,1,1,0,0,0|1,0,0]=3 2588 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 1626a_100102657272_100010768519 [0,1,1,0,0,0|1,0,0]=3 2589 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 240690a_100102657272_100010768519 [0,1,1,0,0,0|1,0,0]=3 2590 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 527a_100102657272_100010768519 [0,1,1,0,0,0|1,0,0]=3 2591 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 11a_106832991635_100010768524 [0,1,1,0,0,0|1,0,0]=3 2592 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 1626a_100102657272_100010768524 [0,1,1,0,0,0|1,0,0]=3 2593 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 240690a_100102657272_100010768524 [0,1,1,0,0,0|1,0,0]=3 2594 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 527a_100102657272_100010768524 [0,1,1,0,0,0|1,0,0]=3 2595 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 11a_106832991635_100012350121 [0,1,1,0,0,0|2,0,0]=4 2596 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 1626a_100102657272_100012350121 [0,1,1,0,0,0|2,0,0]=4 2597 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 240690a_100102657272_100012350121 [0,1,1,0,0,0|2,0,0]=4 2598 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 527a_100102657272_100012350121 [0,1,1,0,0,0|2,0,0]=4 2599 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 11a_106832991635_100010245877 [0,1,1,0,0,0|2,0,0]=4 2600 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 1626a_100102657272_100010245877 [0,1,1,0,0,0|2,0,0]=4 2601 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 240690a_100102657272_100010245877 [0,1,1,0,0,0|2,0,0]=4 2602 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 527a_100102657272_100010245877 [0,1,1,0,0,0|2,0,0]=4 2603 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 11a_106832991635_200010769262 [0,1,1,0,0,0|1,0,0]=3 2604 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 1626a_100102657272_200010769262 [0,1,1,0,0,0|1,0,0]=3 2605 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 240690a_100102657272_200010769262 [0,1,1,0,0,0|1,0,0]=3 2606 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 527a_100102657272_200010769262 [0,1,1,0,0,0|1,0,0]=3 2607 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 11a_106832991635_100000036856 [0,1,1,0,0,0|1,0,0]=3 2608 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 1626a_100102657272_100000036856 [0,1,1,0,0,0|1,0,0]=3 2609 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 240690a_100102657272_100000036856 [0,1,1,0,0,0|1,0,0]=3 2610 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 527a_100102657272_100000036856 [0,1,1,0,0,0|1,0,0]=3 2611 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 11a_106832991635_100000182695 [0,1,1,0,0,0|2,0,0]=4 2612 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 1626a_100102657272_100000182695 [0,1,1,0,0,0|2,0,0]=4 2613 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 240690a_100102657272_100000182695 [0,1,1,0,0,0|2,0,0]=4 2614 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 527a_100102657272_100000182695 [0,1,1,0,0,0|2,0,0]=4 2615 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 11a_106832991635_100000061834 [0,1,1,0,0,0|2,0,0]=4 2616 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 1626a_100102657272_100000061834 [0,1,1,0,0,0|2,0,0]=4 2617 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 240690a_100102657272_100000061834 [0,1,1,0,0,0|2,0,0]=4 2618 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 527a_100102657272_100000061834 [0,1,1,0,0,0|2,0,0]=4 2619 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 11a_106832991635_100000068355 [0,1,1,0,0,0|2,0,0]=4 2620 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 1626a_100102657272_100000068355 [0,1,1,0,0,0|2,0,0]=4 2621 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 240690a_100102657272_100000068355 [0,1,1,0,0,0|2,0,0]=4 2622 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 11a_106832991635_100000043044 [0,1,1,0,0,0|2,0,0]=4 2623 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 1626a_100102657272_100000043044 [0,1,1,0,0,0|2,0,0]=4 2624 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 240690a_100102657272_100000043044 [0,1,1,0,0,0|2,0,0]=4 2625 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 527a_100102657272_100000043044 [0,1,1,0,0,0|2,0,0]=4 2626 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 11a_106832991635_100010233042 [0,1,1,0,0,0|2,0,0]=4 2627 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 240690a_100102657272_100010233042 [0,1,1,0,0,0|2,0,0]=4 2628 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 527a_100102657272_100010233042 [0,1,1,0,0,0|2,0,0]=4 2629 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 11a_106832991635_100010235752 [0,1,1,0,0,0|2,0,0]=4 2630 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 1626a_100102657272_100010235752 [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 240690a_100102657272_100010235752 [0,1,1,0,0,0|2,0,0]=4 2632 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 527a_100102657272_100010235752 [0,1,1,0,0,0|2,0,0]=4 2633 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 11a_106832991635_100000721511 [0,1,1,0,0,0|2,0,0]=4 2634 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 1626a_100102657272_100000721511 [0,1,1,0,0,0|2,0,0]=4 2635 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 240690a_100102657272_100000721511 [0,1,1,0,0,0|2,0,0]=4 2636 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 527a_100102657272_100000721511 [0,1,1,0,0,0|2,0,0]=4 2637 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 11a_106832991635_100010271678 [0,1,1,0,0,0|1,0,0]=3 2638 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 1626a_100102657272_100010271678 [0,1,1,0,0,0|1,0,0]=3 2639 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 240690a_100102657272_100010271678 [0,1,1,0,0,0|1,0,0]=3 2640 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 527a_100102657272_100010271678 [0,1,1,0,0,0|1,0,0]=3 2641 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 11a_106832991635_100000039063 [0,1,1,0,0,0|1,0,0]=3 2642 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 1626a_100102657272_100000039063 [0,1,1,0,0,0|1,0,0]=3 2643 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 240690a_100102657272_100000039063 [0,1,1,0,0,0|1,0,0]=3 2644 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 527a_100102657272_100000039063 [0,1,1,0,0,0|1,0,0]=3 2645 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 11a_106832991635_100000692215 [0,1,1,0,0,0|1,0,0]=3 2646 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 1626a_100102657272_100000692215 [0,1,1,0,0,0|1,0,0]=3 2647 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 240690a_100102657272_100000692215 [0,1,1,0,0,0|1,0,0]=3 2648 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 527a_100102657272_100000692215 [0,1,1,0,0,0|1,0,0]=3 2649 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 11a_106832991635_100010769261 [0,1,1,0,0,0|2,0,0]=4 2650 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 1626a_100102657272_100010769261 [0,1,1,0,0,0|2,0,0]=4 2651 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 240690a_100102657272_100010769261 [0,1,1,0,0,0|2,0,0]=4 2652 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 527a_100102657272_100010769261 [0,1,1,0,0,0|2,0,0]=4 2653 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 11a_106832991635_100000061686 [0,1,1,0,0,0|2,0,0]=4 2654 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 1626a_100102657272_100000061686 [0,1,1,0,0,0|2,0,0]=4 2655 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 240690a_100102657272_100000061686 [0,1,1,0,0,0|2,0,0]=4 2656 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 527a_100102657272_100000061686 [0,1,1,0,0,0|2,0,0]=4 2657 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 11a_106832991635_100011219569 [0,1,1,0,0,0|2,0,0]=4 2658 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 1626a_100102657272_100011219569 [0,1,1,0,0,0|2,0,0]=4 2659 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 240690a_100102657272_100011219569 [0,1,1,0,0,0|2,0,0]=4 2660 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 527a_100102657272_100011219569 [0,1,1,0,0,0|2,0,0]=4 2661 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 11a_106832991635_100010177765 [0,1,1,0,0,0|2,0,0]=4 2662 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 1626a_100102657272_100010177765 [0,1,1,0,0,0|2,0,0]=4 2663 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 240690a_100102657272_100010177765 [0,1,1,0,0,0|2,0,0]=4 2664 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 527a_100102657272_100010177765 [0,1,1,0,0,0|2,0,0]=4 2665 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 11a_106832991635_100011998153 [0,1,1,0,0,0|2,0,0]=4 2666 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 1626a_100102657272_100011998153 [0,1,1,0,0,0|2,0,0]=4 2667 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 240690a_100102657272_100011998153 [0,1,1,0,0,0|2,0,0]=4 2668 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 527a_100102657272_100011998153 [0,1,1,0,0,0|2,0,0]=4 2669 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 11a_106832991635_100000031524 [0,1,1,0,0,0|2,0,0]=4 2670 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 1626a_100102657272_100000031524 [0,1,1,0,0,0|2,0,0]=4 2671 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 240690a_100102657272_100000031524 [0,1,1,0,0,0|2,0,0]=4 2672 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 527a_100102657272_100000031524 [0,1,1,0,0,0|2,0,0]=4 2673 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 11a_106832991635_100010177766 [0,1,1,0,0,0|2,0,0]=4 2674 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 1626a_100102657272_100010177766 [0,1,1,0,0,0|2,0,0]=4 2675 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 240690a_100102657272_100010177766 [0,1,1,0,0,0|2,0,0]=4 2676 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 527a_100102657272_100010177766 [0,1,1,0,0,0|2,0,0]=4 2677 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 240690a_100102657272_100000062415 [0,1,1,0,0,0|2,0,0]=4 2678 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 527a_100102657272_100000062415 [0,1,1,0,0,0|2,0,0]=4 2679 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 11a_106832991635_100010782274 [0,1,1,0,0,0|2,0,0]=4 2680 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 1626a_100102657272_100010782274 [0,1,1,0,0,0|2,0,0]=4 2681 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 240690a_100102657272_100010782274 [0,1,1,0,0,0|2,0,0]=4 2682 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 527a_100102657272_100010782274 [0,1,1,0,0,0|2,0,0]=4 2683 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 11a_106832991635_100021583479 [0,1,1,0,0,0|2,0,0]=4 2684 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 1626a_100102657272_100021583479 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 240690a_100102657272_100021583479 [0,1,1,0,0,0|2,0,0]=4 2686 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 527a_100102657272_100021583479 [0,1,1,0,0,0|2,0,0]=4 2687 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 11a_106832991635_100012359589 [0,1,1,0,0,0|2,0,0]=4 2688 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 1626a_100102657272_100012359589 [0,1,1,0,0,0|2,0,0]=4 2689 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 240690a_100102657272_100012359589 [0,1,1,0,0,0|2,0,0]=4 2690 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 527a_100102657272_100012359589 [0,1,1,0,0,0|2,0,0]=4 2691 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 240690a_100102657272_100000068660 [0,1,1,0,0,0|2,0,0]=4 2692 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 527a_100102657272_100000068660 [0,1,1,0,0,0|2,0,0]=4 2693 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 240690a_100102657272_100010008628 [0,1,1,0,0,0|2,0,0]=4 2694 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 527a_100102657272_100010008628 [0,1,1,0,0,0|2,0,0]=4 2695 B13R1.1822 CNC(=O)c1c(ccc(c1O)C)C 240690a_100102657272_100011255215 [0,1,1,0,0,0|1,0,0]=3 2696 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 240690a_100102657272_100011255222 [0,1,1,0,0,0|2,0,0]=4 2697 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 527a_100102657272_100011255222 [0,1,1,0,0,0|2,0,0]=4 2698 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 240690a_100102657272_100000080727 [0,1,1,0,0,0|2,0,0]=4 2699 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 527a_100102657272_100000080727 [0,1,1,0,0,0|2,0,0]=4 2700 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 240690a_100102657272_100011830443 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 527a_100102657272_100011830443 [0,1,1,0,0,0|2,0,0]=4 2702 B13R1.1822 COC(=O)c1c(ccc(c1C)F)O 271570a_203496583355_100015681208 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.1822 COC(=O)c1c(ccc(c1C)N)O 271570a_203496583355_100000718917 [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.1822 COC(=O)c1c(ccc(c1C)O)C 271570a_203496583355_100016100700 [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.1822 COC(=O)c1c(ccc(c1C)O)N 271570a_203496583355_100010203172 [0,1,1,0,0,0|2,0,0]=4 2706 B13R1.1822 COC(=O)c1c(ccc(c1C)O)O 271570a_203496583355_100010074912 [0,1,1,0,0,0|2,0,0]=4 2707 B13R1.1822 COC(=O)c1c(ccc(c1F)C)O 271570a_203496583355_100010782293 [0,1,1,0,0,0|2,0,0]=4 2708 B13R1.3768 CC(=C(C)c1cccc(c1C)C)C 271570a_200000049429_100011214922 [0,1,1,0,0,0|2,0,0]=4 2709 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 11a_100102631434_100012360534 [0,1,1,0,0,0|2,0,0]=4 2710 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 1626a_100102631434_100012360534 [0,1,1,0,0,0|2,0,0]=4 2711 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 240690a_100102631434_100012360534 [0,1,1,0,0,0|2,0,0]=4 2712 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 527a_100102631434_100012360534 [0,1,1,0,0,0|2,0,0]=4 2713 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 11a_100102631434_100012339722 [0,1,1,0,0,0|2,0,0]=4 2714 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 1626a_100102631434_100012339722 [0,1,1,0,0,0|2,0,0]=4 2715 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 240690a_100102631434_100012339722 [0,1,1,0,0,0|2,0,0]=4 2716 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 527a_100102631434_100012339722 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 11a_100102631434_100011217547 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 1626a_100102631434_100011217547 [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 240690a_100102631434_100011217547 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 527a_100102631434_100011217547 [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 11a_100102631434_100010232522 [0,1,1,0,0,0|2,0,0]=4 2722 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 1626a_100102631434_100010232522 [0,1,1,0,0,0|2,0,0]=4 2723 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 240690a_100102631434_100010232522 [0,1,1,0,0,0|2,0,0]=4 2724 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 527a_100102631434_100010232522 [0,1,1,0,0,0|2,0,0]=4 2725 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)O 240690a_100102631434_100010230362 [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)O 527a_100102631434_100010230362 [0,1,1,0,0,0|2,0,0]=4 2727 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 11a_100102631434_100000760540 [0,1,1,0,0,0|2,0,0]=4 2728 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 1626a_100102631434_100000760540 [0,1,1,0,0,0|2,0,0]=4 2729 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 240690a_100102631434_100000760540 [0,1,1,0,0,0|2,0,0]=4 2730 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 527a_100102631434_100000760540 [0,1,1,0,0,0|2,0,0]=4 2731 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 11a_100102631434_100000183631 [0,1,1,0,0,0|2,0,0]=4 2732 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 1626a_100102631434_100000183631 [0,1,1,0,0,0|2,0,0]=4 2733 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 240690a_100102631434_100000183631 [0,1,1,0,0,0|2,0,0]=4 2734 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 527a_100102631434_100000183631 [0,1,1,0,0,0|2,0,0]=4 2735 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 11a_100102631434_100000759904 [0,1,1,0,0,0|2,0,0]=4 2736 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 1626a_100102631434_100000759904 [0,1,1,0,0,0|2,0,0]=4 2737 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 240690a_100102631434_100000759904 [0,1,1,0,0,0|2,0,0]=4 2738 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 527a_100102631434_100000759904 [0,1,1,0,0,0|2,0,0]=4 2739 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 11a_100102631434_100010176783 [0,1,1,0,0,0|2,0,0]=4 2740 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 1626a_100102631434_100010176783 [0,1,1,0,0,0|2,0,0]=4 2741 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 240690a_100102631434_100010176783 [0,1,1,0,0,0|2,0,0]=4 2742 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 527a_100102631434_100010176783 [0,1,1,0,0,0|2,0,0]=4 2743 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)O 240690a_100102631434_100000092362 [0,1,1,0,0,0|2,0,0]=4 2744 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)O 527a_100102631434_100000092362 [0,1,1,0,0,0|2,0,0]=4 2745 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 11a_100102631434_100000756403 [0,1,1,0,0,0|2,0,0]=4 2746 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 1626a_100102631434_100000756403 [0,1,1,0,0,0|2,0,0]=4 2747 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 240690a_100102631434_100000756403 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 527a_100102631434_100000756403 [0,1,1,0,0,0|2,0,0]=4 2749 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 11a_100102631434_100000688816 [0,1,1,0,0,0|2,0,0]=4 2750 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 1626a_100102631434_100000688816 [0,1,1,0,0,0|2,0,0]=4 2751 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 240690a_100102631434_100000688816 [0,1,1,0,0,0|2,0,0]=4 2752 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 527a_100102631434_100000688816 [0,1,1,0,0,0|2,0,0]=4 2753 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 11a_100102631434_100000748134 [0,1,1,0,0,0|2,0,0]=4 2754 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 1626a_100102631434_100000748134 [0,1,1,0,0,0|2,0,0]=4 2755 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 240690a_100102631434_100000748134 [0,1,1,0,0,0|2,0,0]=4 2756 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 527a_100102631434_100000748134 [0,1,1,0,0,0|2,0,0]=4 2757 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 11a_100102631434_100010185205 [0,1,1,0,0,0|2,0,0]=4 2758 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 1626a_100102631434_100010185205 [0,1,1,0,0,0|2,0,0]=4 2759 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 240690a_100102631434_100010185205 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 527a_100102631434_100010185205 [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 240690a_100102631434_100000037433 [0,1,1,0,0,0|2,0,0]=4 2762 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 271570a_203496583355_100014069087 [0,1,1,0,0,0|2,0,0]=4 2763 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 527a_100102631434_100000037433 [0,1,1,0,0,0|2,0,0]=4 2764 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 11a_100102631434_100000688019 [0,1,1,0,0,0|2,0,0]=4 2765 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 1626a_100102631434_100000688019 [0,1,1,0,0,0|2,0,0]=4 2766 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 240690a_100102631434_100000688019 [0,1,1,0,0,0|2,0,0]=4 2767 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 527a_100102631434_100000688019 [0,1,1,0,0,0|2,0,0]=4 2768 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 11a_100102631434_100010176784 [0,1,1,0,0,0|2,0,0]=4 2769 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 1626a_100102631434_100010176784 [0,1,1,0,0,0|2,0,0]=4 2770 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 240690a_100102631434_100010176784 [0,1,1,0,0,0|2,0,0]=4 2771 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 527a_100102631434_100010176784 [0,1,1,0,0,0|2,0,0]=4 2772 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 11a_100102631434_100000690930 [0,1,1,0,0,0|2,0,0]=4 2773 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 1626a_100102631434_100000690930 [0,1,1,0,0,0|2,0,0]=4 2774 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 240690a_100102631434_100000690930 [0,1,1,0,0,0|2,0,0]=4 2775 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 527a_100102631434_100000690930 [0,1,1,0,0,0|2,0,0]=4 2776 B13R1.3768 CN(C)C(=O)c1cccc(c1I)O 527a_100102631434_100010084636 [0,1,1,0,0,0|2,0,0]=4 2777 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Br 240690a_100102631434_100000752940 [0,1,1,0,0,0|2,0,0]=4 2778 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Br 527a_100102631434_100000752940 [0,1,1,0,0,0|2,0,0]=4 2779 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Cl 240690a_100102631434_100000742801 [0,1,1,0,0,0|2,0,0]=4 2780 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Cl 527a_100102631434_100000742801 [0,1,1,0,0,0|2,0,0]=4 2781 B13R1.3768 CN(C)C(=O)c1cccc(c1O)F 240690a_100102631434_100011217230 [0,1,1,0,0,0|2,0,0]=4 2782 B13R1.3768 CN(C)C(=O)c1cccc(c1O)F 527a_100102631434_100011217230 [0,1,1,0,0,0|2,0,0]=4 2783 B13R1.3768 CN(C)C(=O)c1cccc(c1O)O 527a_100102631434_100000690420 [0,1,1,0,0,0|2,0,0]=4 2784 B13R1.3768 Cc1c(cccc1C(=O)C(C)C)Br 1458a_100000760464_100000210206 [0,1,1,0,0,0|2,0,0]=4 2785 B13R1.3768 Cc1c(cccc1C(=O)C(C)C)Cl 1458a_100000690184_100000210206 [0,1,1,0,0,0|2,0,0]=4 2786 B13R1.3768 Cc1c(cccc1C(=O)C(C)C)F 1458a_100011218272_100000210206 [0,1,1,0,0,0|2,0,0]=4 2787 B13R1.3768 Cc1c(cccc1C(=O)C(C)C)I 1458a_100000751865_100000210206 [0,1,1,0,0,0|2,0,0]=4 2788 B13R1.3768 Cc1c(cccc1C(=O)C(C)C)O 1458a_100000766327_100000210206 [0,1,1,0,0,0|2,0,0]=4 2789 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 11a_100102631434_100000760464 [0,1,1,0,0,0|1,0,0]=3 2790 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 1626a_100102631434_100000760464 [0,1,1,0,0,0|1,0,0]=3 2791 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 240690a_100102631434_100000760464 [0,1,1,0,0,0|1,0,0]=3 2792 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 527a_100102631434_100000760464 [0,1,1,0,0,0|1,0,0]=3 2793 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 11a_100102631434_100000690184 [0,1,1,0,0,0|1,0,0]=3 2794 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 1626a_100102631434_100000690184 [0,1,1,0,0,0|1,0,0]=3 2795 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 240690a_100102631434_100000690184 [0,1,1,0,0,0|1,0,0]=3 2796 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 527a_100102631434_100000690184 [0,1,1,0,0,0|1,0,0]=3 2797 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 11a_100102631434_100011218272 [0,1,1,0,0,0|1,0,0]=3 2798 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 1626a_100102631434_100011218272 [0,1,1,0,0,0|1,0,0]=3 2799 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 240690a_100102631434_100011218272 [0,1,1,0,0,0|1,0,0]=3 2800 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 527a_100102631434_100011218272 [0,1,1,0,0,0|1,0,0]=3 2801 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 11a_100102631434_100000751865 [0,1,1,0,0,0|1,0,0]=3 2802 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 1626a_100102631434_100000751865 [0,1,1,0,0,0|1,0,0]=3 2803 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 240690a_100102631434_100000751865 [0,1,1,0,0,0|1,0,0]=3 2804 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 527a_100102631434_100000751865 [0,1,1,0,0,0|1,0,0]=3 2805 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)O 240690a_100102631434_100000766327 [0,1,1,0,0,0|1,0,0]=3 2806 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)O 527a_100102631434_100000766327 [0,1,1,0,0,0|1,0,0]=3 2807 B13R1.3768 Cc1cccc(c1Br)C(=O)C(C)C 1458a_100000692419_100000210206 [0,1,1,0,0,0|2,0,0]=4 2808 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 11a_100102631434_100000692419 [0,1,1,0,0,0|1,0,0]=3 2809 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 1626a_100102631434_100000692419 [0,1,1,0,0,0|1,0,0]=3 2810 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 240690a_100102631434_100000692419 [0,1,1,0,0,0|1,0,0]=3 2811 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 527a_100102631434_100000692419 [0,1,1,0,0,0|1,0,0]=3 2812 B13R1.3768 Cc1cccc(c1C)C(=O)C(C)C 1458a_100000183679_100000210206 [0,1,1,0,0,0|1,0,0]=3 2813 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 11a_100102631434_100000183679 [0,1,1,0,0,0|0,0,0]=2 2814 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 1626a_100102631434_100000183679 [0,1,1,0,0,0|0,0,0]=2 2815 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 240690a_100102631434_100000183679 [0,1,1,0,0,0|0,0,0]=2 2816 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 527a_100102631434_100000183679 [0,1,1,0,0,0|0,0,0]=2 2817 B13R1.3768 Cc1cccc(c1C)C(C)N(C)C 2230a_100102631434_100012183177 [0,1,1,0,0,0|1,0,1]=4 2818 B13R1.3768 Cc1cccc(c1C)C(C)N(C)C 269982a_100102631434_100012183177 [0,1,1,0,0,0|1,0,1]=4 2819 B13R1.3768 Cc1cccc(c1Cl)C(=O)C(C)C 1458a_100000693142_100000210206 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 11a_100102631434_100000693142 [0,1,1,0,0,0|1,0,0]=3 2821 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 1626a_100102631434_100000693142 [0,1,1,0,0,0|1,0,0]=3 2822 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 240690a_100102631434_100000693142 [0,1,1,0,0,0|1,0,0]=3 2823 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 527a_100102631434_100000693142 [0,1,1,0,0,0|1,0,0]=3 2824 B13R1.3768 Cc1cccc(c1F)C(=O)C(C)C 1458a_100000766181_100000210206 [0,1,1,0,0,0|2,0,0]=4 2825 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 11a_100102631434_100000766181 [0,1,1,0,0,0|1,0,0]=3 2826 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 1626a_100102631434_100000766181 [0,1,1,0,0,0|1,0,0]=3 2827 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 240690a_100102631434_100000766181 [0,1,1,0,0,0|1,0,0]=3 2828 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 527a_100102631434_100000766181 [0,1,1,0,0,0|1,0,0]=3 2829 B13R1.3768 Cc1cccc(c1I)C(=O)C(C)C 1458a_100000739377_100000210206 [0,1,1,0,0,0|2,0,0]=4 2830 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 11a_100102631434_100000739377 [0,1,1,0,0,0|1,0,0]=3 2831 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 1626a_100102631434_100000739377 [0,1,1,0,0,0|1,0,0]=3 2832 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 240690a_100102631434_100000739377 [0,1,1,0,0,0|1,0,0]=3 2833 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 527a_100102631434_100000739377 [0,1,1,0,0,0|1,0,0]=3 2834 B13R1.3768 Cc1cccc(c1O)C(=O)C(C)C 1458a_100000183896_100000210206 [0,1,1,0,0,0|2,0,0]=4 2835 B13R1.3768 Cc1cccc(c1O)C(=O)N(C)C 240690a_100102631434_100000183896 [0,1,1,0,0,0|1,0,0]=3 2836 B13R1.3768 Cc1cccc(c1O)C(=O)N(C)C 527a_100102631434_100000183896 [0,1,1,0,0,0|1,0,0]=3 2837 B13R1.4789 CCC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_100000210202 [0,1,1,0,0,0|2,0,0]=4 2838 B13R1.4789 CCC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_100000210202 [0,1,1,0,0,0|2,0,0]=4 2839 B13R1.4789 CCC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_100000210202 [0,1,1,0,0,0|2,0,0]=4 2840 B13R1.4789 CCC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_100000210202 [0,1,1,0,0,0|1,0,0]=3 2841 B13R1.4789 CCC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_100000210202 [0,1,1,0,0,0|2,0,0]=4 2842 B13R1.4789 CCC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_100000210202 [0,1,1,0,0,0|2,0,0]=4 2843 B13R1.4789 CCC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_100000210202 [0,1,1,0,0,0|2,0,0]=4 2844 B13R1.4789 CCC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_100000210202 [0,1,1,0,0,0|2,0,0]=4 2845 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_100000210202 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.4789 CCC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_100000210202 [0,1,1,0,0,0|2,0,0]=4 2847 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_100000210202 [0,1,1,0,0,0|2,0,0]=4 2848 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_100000210202 [0,1,1,0,0,0|2,0,0]=4 2849 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 11a_106832991635_200012920551 [0,1,1,0,0,0|2,0,0]=4 2850 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 1626a_100102657272_200012920551 [0,1,1,0,0,0|2,0,0]=4 2851 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 240690a_100102657272_200012920551 [0,1,1,0,0,0|2,0,0]=4 2852 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 527a_100102657272_200012920551 [0,1,1,0,0,0|2,0,0]=4 2853 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 11a_106832991635_200000701928 [0,1,1,0,0,0|1,0,0]=3 2854 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 1626a_100102657272_200000701928 [0,1,1,0,0,0|1,0,0]=3 2855 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 240690a_100102657272_200000701928 [0,1,1,0,0,0|1,0,0]=3 2856 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 527a_100102657272_200000701928 [0,1,1,0,0,0|1,0,0]=3 2857 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 11a_106832991635_100010209673 [0,1,1,0,0,0|2,0,0]=4 2858 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 1626a_100102657272_100010209673 [0,1,1,0,0,0|2,0,0]=4 2859 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 240690a_100102657272_100010209673 [0,1,1,0,0,0|2,0,0]=4 2860 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 527a_100102657272_100010209673 [0,1,1,0,0,0|2,0,0]=4 2861 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 11a_106832991635_100012356187 [0,1,1,0,0,0|1,0,0]=3 2862 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 240690a_100102657272_100012356187 [0,1,1,0,0,0|1,0,0]=3 2863 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 527a_100102657272_100012356187 [0,1,1,0,0,0|1,0,0]=3 2864 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 11a_106832991635_100012347597 [0,1,1,0,0,0|1,0,0]=3 2865 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 1626a_100102657272_100012347597 [0,1,1,0,0,0|1,0,0]=3 2866 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 240690a_100102657272_100012347597 [0,1,1,0,0,0|1,0,0]=3 2867 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 527a_100102657272_100012347597 [0,1,1,0,0,0|1,0,0]=3 2868 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 11a_106832991635_100012920495 [0,1,1,0,0,0|0,0,0]=2 2869 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 1626a_100102657272_100012920495 [0,1,1,0,0,0|0,0,0]=2 2870 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 240690a_100102657272_100012920495 [0,1,1,0,0,0|0,0,0]=2 2871 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 527a_100102657272_100012920495 [0,1,1,0,0,0|0,0,0]=2 2872 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 11a_106832991635_100012921640 [0,1,1,0,0,0|1,0,0]=3 2873 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 1626a_100102657272_100012921640 [0,1,1,0,0,0|1,0,0]=3 2874 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 240690a_100102657272_100012921640 [0,1,1,0,0,0|1,0,0]=3 2875 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 527a_100102657272_100012921640 [0,1,1,0,0,0|1,0,0]=3 2876 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 11a_106832991635_100012177191 [0,1,1,0,0,0|1,0,0]=3 2877 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 1626a_100102657272_100012177191 [0,1,1,0,0,0|1,0,0]=3 2878 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 240690a_100102657272_100012177191 [0,1,1,0,0,0|1,0,0]=3 2879 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 527a_100102657272_100012177191 [0,1,1,0,0,0|1,0,0]=3 2880 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 11a_106832991635_100010768523 [0,1,1,0,0,0|1,0,0]=3 2881 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 1626a_100102657272_100010768523 [0,1,1,0,0,0|1,0,0]=3 2882 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 240690a_100102657272_100010768523 [0,1,1,0,0,0|1,0,0]=3 2883 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 527a_100102657272_100010768523 [0,1,1,0,0,0|1,0,0]=3 2884 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 240690a_100102657272_100011101721 [0,1,1,0,0,0|1,0,0]=3 2885 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 527a_100102657272_100011101721 [0,1,1,0,0,0|1,0,0]=3 2886 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 11a_106832991635_200012920481 [0,1,1,0,0,0|2,0,0]=4 2887 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 1626a_100102657272_200012920481 [0,1,1,0,0,0|2,0,0]=4 2888 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 240690a_100102657272_200012920481 [0,1,1,0,0,0|2,0,0]=4 2889 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 527a_100102657272_200012920481 [0,1,1,0,0,0|2,0,0]=4 2890 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 11a_106832991635_100011105905 [0,1,1,0,0,0|2,0,0]=4 2891 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 1626a_100102657272_100011105905 [0,1,1,0,0,0|2,0,0]=4 2892 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 240690a_100102657272_100011105905 [0,1,1,0,0,0|2,0,0]=4 2893 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 527a_100102657272_100011105905 [0,1,1,0,0,0|2,0,0]=4 2894 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 11a_106832991635_200010768536 [0,1,1,0,0,0|1,0,0]=3 2895 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 1626a_100102657272_200010768536 [0,1,1,0,0,0|1,0,0]=3 2896 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 240690a_100102657272_200010768536 [0,1,1,0,0,0|1,0,0]=3 2897 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 527a_100102657272_200010768536 [0,1,1,0,0,0|1,0,0]=3 2898 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 11a_106832991635_100011215521 [0,1,1,0,0,0|2,0,0]=4 2899 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 1626a_100102657272_100011215521 [0,1,1,0,0,0|2,0,0]=4 2900 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 240690a_100102657272_100011215521 [0,1,1,0,0,0|2,0,0]=4 2901 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 527a_100102657272_100011215521 [0,1,1,0,0,0|2,0,0]=4 2902 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 11a_106832991635_200010244589 [0,1,1,0,0,0|2,0,0]=4 2903 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 1626a_100102657272_200010244589 [0,1,1,0,0,0|2,0,0]=4 2904 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 240690a_100102657272_200010244589 [0,1,1,0,0,0|2,0,0]=4 2905 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 527a_100102657272_200010244589 [0,1,1,0,0,0|2,0,0]=4 2906 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 11a_106832991635_200012352169 [0,1,1,0,0,0|2,0,0]=4 2907 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 1626a_100102657272_200012352169 [0,1,1,0,0,0|2,0,0]=4 2908 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 240690a_100102657272_200012352169 [0,1,1,0,0,0|2,0,0]=4 2909 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 527a_100102657272_200012352169 [0,1,1,0,0,0|2,0,0]=4 2910 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 11a_106832991635_100009888511 [0,1,1,0,0,0|2,0,0]=4 2911 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 1626a_100102657272_100009888511 [0,1,1,0,0,0|2,0,0]=4 2912 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 240690a_100102657272_100009888511 [0,1,1,0,0,0|2,0,0]=4 2913 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 527a_100102657272_100009888511 [0,1,1,0,0,0|2,0,0]=4 2914 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 11a_106832991635_100009996753 [0,1,1,0,0,0|2,0,0]=4 2915 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 1626a_100102657272_100009996753 [0,1,1,0,0,0|2,0,0]=4 2916 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 240690a_100102657272_100009996753 [0,1,1,0,0,0|2,0,0]=4 2917 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 527a_100102657272_100009996753 [0,1,1,0,0,0|2,0,0]=4 2918 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 11a_106832991635_100000720295 [0,1,1,0,0,0|2,0,0]=4 2919 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 1626a_100102657272_100000720295 [0,1,1,0,0,0|2,0,0]=4 2920 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 240690a_100102657272_100000720295 [0,1,1,0,0,0|2,0,0]=4 2921 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 527a_100102657272_100000720295 [0,1,1,0,0,0|2,0,0]=4 2922 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 11a_106832991635_100012920464 [0,1,1,0,0,0|2,0,0]=4 2923 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 1626a_100102657272_100012920464 [0,1,1,0,0,0|2,0,0]=4 2924 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 240690a_100102657272_100012920464 [0,1,1,0,0,0|2,0,0]=4 2925 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 527a_100102657272_100012920464 [0,1,1,0,0,0|2,0,0]=4 2926 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 11a_106832991635_100012928937 [0,1,1,0,0,0|1,0,0]=3 2927 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 1626a_100102657272_100012928937 [0,1,1,0,0,0|1,0,0]=3 2928 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 240690a_100102657272_100012928937 [0,1,1,0,0,0|1,0,0]=3 2929 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 11a_106832991635_100012920557 [0,1,1,0,0,0|2,0,0]=4 2930 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 1626a_100102657272_100012920557 [0,1,1,0,0,0|2,0,0]=4 2931 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 240690a_100102657272_100012920557 [0,1,1,0,0,0|2,0,0]=4 2932 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 11a_106832991635_100012920558 [0,1,1,0,0,0|2,0,0]=4 2933 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 1626a_100102657272_100012920558 [0,1,1,0,0,0|2,0,0]=4 2934 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 240690a_100102657272_100012920558 [0,1,1,0,0,0|2,0,0]=4 2935 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 11a_106832991635_100012349847 [0,1,1,0,0,0|2,0,0]=4 2936 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 1626a_100102657272_100012349847 [0,1,1,0,0,0|2,0,0]=4 2937 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 240690a_100102657272_100012349847 [0,1,1,0,0,0|2,0,0]=4 2938 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 527a_100102657272_100012349847 [0,1,1,0,0,0|2,0,0]=4 2939 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 11a_106832991635_100000094381 [0,1,1,0,0,0|2,0,0]=4 2940 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 1626a_100102657272_100000094381 [0,1,1,0,0,0|2,0,0]=4 2941 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 240690a_100102657272_100000094381 [0,1,1,0,0,0|2,0,0]=4 2942 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 527a_100102657272_100000094381 [0,1,1,0,0,0|2,0,0]=4 2943 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 11a_106832991635_100011217470 [0,1,1,0,0,0|2,0,0]=4 2944 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 1626a_100102657272_100011217470 [0,1,1,0,0,0|2,0,0]=4 2945 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 240690a_100102657272_100011217470 [0,1,1,0,0,0|2,0,0]=4 2946 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 527a_100102657272_100011217470 [0,1,1,0,0,0|2,0,0]=4 2947 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 11a_106832991635_100012344719 [0,1,1,0,0,0|2,0,0]=4 2948 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 1626a_100102657272_100012344719 [0,1,1,0,0,0|2,0,0]=4 2949 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 240690a_100102657272_100012344719 [0,1,1,0,0,0|2,0,0]=4 2950 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 527a_100102657272_100012344719 [0,1,1,0,0,0|2,0,0]=4 2951 B13R1.4789 CNC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100010284104 [0,1,1,0,0,0|1,0,0]=3 2952 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 240690a_100102657272_100000212120 [0,1,1,0,0,0|2,0,0]=4 2953 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 527a_100102657272_100000212120 [0,1,1,0,0,0|2,0,0]=4 2954 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 240690a_100102657272_100000765379 [0,1,1,0,0,0|2,0,0]=4 2955 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 527a_100102657272_100000765379 [0,1,1,0,0,0|2,0,0]=4 2956 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Br 240690a_100102657272_100011825902 [0,1,1,0,0,0|1,0,0]=3 2957 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 240690a_100102657272_100011255218 [0,1,1,0,0,0|1,0,0]=3 2958 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 527a_100102657272_100011255218 [0,1,1,0,0,0|1,0,0]=3 2959 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 240690a_100102657272_100000215963 [0,1,1,0,0,0|2,0,0]=4 2960 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 527a_100102657272_100000215963 [0,1,1,0,0,0|2,0,0]=4 2961 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 240690a_100102657272_100011255233 [0,1,1,0,0,0|2,0,0]=4 2962 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 527a_100102657272_100011255233 [0,1,1,0,0,0|2,0,0]=4 2963 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 240690a_100102657272_100011255242 [0,1,1,0,0,0|2,0,0]=4 2964 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 527a_100102657272_100011255242 [0,1,1,0,0,0|2,0,0]=4 2965 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 1626a_100102657272_100000748652 [0,1,1,0,0,0|2,0,0]=4 2966 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 240690a_100102657272_100000748652 [0,1,1,0,0,0|2,0,0]=4 2967 B13R1.4789 COC(=O)c1cc(cc(c1C)Br)O 271570a_203496583355_100012569200 [0,1,1,0,0,0|2,0,0]=4 2968 B13R1.4789 COC(=O)c1cc(cc(c1C)F)O 271570a_203496583355_100015527428 [0,1,1,0,0,0|2,0,0]=4 2969 B13R1.4789 COC(=O)c1cc(cc(c1C)N)O 271570a_203496583355_100012257200 [0,1,1,0,0,0|2,0,0]=4 2970 B13R1.4789 COC(=O)c1cc(cc(c1C)O)F 271570a_203496583355_100012347598 [0,1,1,0,0,0|2,0,0]=4 2971 B13R1.4789 COC(=O)c1cc(cc(c1C)O)O 271570a_203496583355_200011012443 [0,1,1,0,0,0|2,0,0]=4 2972 B13R1.4789 COC(=O)c1cc(cc(c1F)C)O 271570a_203496583355_200012928940 [0,1,1,0,0,0|2,0,0]=4 2973 B13R1.4789 COC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100011356660 [0,1,1,0,0,0|2,0,0]=4 2974 B13R1.4789 COC(=O)c1cc(cc(c1O)C)F 271570a_203496583355_100016049047 [0,1,1,0,0,0|2,0,0]=4 2975 B13R1.4789 Cc1cc(cc(c1C)C(=O)CF)Br 1458a_100012920495_100015361967 [0,1,1,0,0,0|2,0,0]=4 2976 B13R1.108 CSc1c(cccc1S(=O)(=O)N)C 62a_200000210301_200012348303 [0,1,1,0,0,0|2,0,0]=4 2977 B13R1.108 CSc1c(cccc1S(=O)(=O)N)C 62a_200012348303_200000210301 [0,1,1,0,0,0|2,0,0]=4 2978 B13R1.108 Cc1cccc(c1S[13CH3])S(=O)(=O)N 62a_200012348303_200025704644 [0,1,1,0,0,0|2,0,0]=4 2979 B13R1.108 Cc1cccc(c1S[13CH3])S(=O)(=O)N 62a_200025704644_200012348303 [0,1,1,0,0,0|2,0,0]=4 2980 B13R1.295 C=C(C)c1c(cccc1C(=O)N)C 271570a_100000694244_200011409216 [0,1,1,0,0,0|0,0,1]=3 2981 B13R1.295 C=C(C)c1c(cccc1C(=O)N)F 271570a_100000694244_200012351544 [0,1,1,0,0,0|1,0,1]=4 2982 B13R1.2137 C=Cc1cccc(c1OC)C(=O)N 271570a_100011290941_100010146779 [0,1,1,0,0,0|1,0,1]=4 2983 B13R1.2137 CCc1c(cccc1C(=O)C)OC 1458a_100000101922_200000210301 [0,1,1,0,0,0|1,0,0]=3 2984 B13R1.2137 CCc1c(cccc1C(=O)[13CH3])OC 1458a_100000101922_200025704644 [0,1,1,0,0,0|1,0,0]=3 2985 B13R1.2137 COc1c(cccc1C(=O)C)SC 62a_100010725610_200000210301 [0,1,1,0,0,0|2,0,0]=4 2986 B13R1.2137 COc1c(cccc1C(=O)C)S[13CH3] 62a_100010725610_200025704644 [0,1,1,0,0,0|2,0,0]=4 2987 B13R1.2137 COc1c(cccc1C(=O)N)SC 62a_100010146779_200000210301 [0,1,1,0,0,0|1,0,0]=3 2988 B13R1.2137 COc1c(cccc1C(=O)N)S[13CH3] 62a_100010146779_200025704644 [0,1,1,0,0,0|1,0,0]=3 2989 B13R1.2137 COc1cccc(c1OC)C(=O)C 1458a_100000210806_200000210301 [0,1,1,0,0,0|2,0,0]=4 2990 B13R1.2137 COc1cccc(c1OC)C(=O)[13CH3] 1458a_100000210806_200025704644 [0,1,1,0,0,0|2,0,0]=4 2991 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 34a_100000188341_200025704644 [0,1,1,0,0,0|2,0,0]=4 2992 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 7a_100000188341_200025704644 [0,1,1,0,0,0|2,0,0]=4 2993 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 34a_200000101212_200000210301 [0,1,1,0,0,0|1,0,0]=3 2994 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 7a_200000101212_200000210301 [0,1,1,0,0,0|1,0,0]=3 2995 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 34a_100000188341_200000210301 [0,1,1,0,0,0|2,0,0]=4 2996 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 7a_100000188341_200000210301 [0,1,1,0,0,0|2,0,0]=4 2997 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200000210301 [0,1,1,0,0,0|2,0,0]=4 2998 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200000210301 [0,1,1,0,0,0|2,0,0]=4 2999 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200000210301 [0,1,1,0,0,0|2,0,0]=4 3000 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200000210301 [0,1,1,0,0,0|2,0,0]=4 3001 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 34a_200000101212_200025704644 [0,1,1,0,0,0|1,0,0]=3 3002 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 7a_200000101212_200025704644 [0,1,1,0,0,0|1,0,0]=3 3003 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200025704644 [0,1,1,0,0,0|2,0,0]=4 3004 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200025704644 [0,1,1,0,0,0|2,0,0]=4 3005 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200025704644 [0,1,1,0,0,0|2,0,0]=4 3006 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200025704644 [0,1,1,0,0,0|2,0,0]=4 3007 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)C 271570a_100015277604_200011409216 [0,1,1,0,0,0|0,0,2]=4 3008 B13R1.4012 CC(=O)c1cccc(c1OCF)C 34a_100009847209_100015361967 [0,1,1,0,0,0|2,0,0]=4 3009 B13R1.4012 CC(=O)c1cccc(c1OCF)C 7a_100009847209_100015361967 [0,1,1,0,0,0|2,0,0]=4 3010 B13R1.4012 CC=Cc1c(cccc1C(=O)N)C 271570a_100016259895_200011409216 [0,1,1,0,0,0|0,0,1]=3 3011 B13R1.4012 CC=Cc1c(cccc1C(=O)N)F 271570a_100016259895_200012351544 [0,1,1,0,0,0|1,0,1]=4 3012 B13R1.4012 CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210202 [0,1,1,0,0,0|0,0,0]=2 3013 B13R1.4012 CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210202 [0,1,1,0,0,0|1,0,0]=3 3014 B13R1.4012 CCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210202 [0,1,1,0,0,0|1,0,0]=3 3015 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [0,1,1,0,0,0|1,0,0]=3 3016 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [0,1,1,0,0,0|1,0,0]=3 3017 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [0,1,1,0,0,0|2,0,0]=4 3018 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [0,1,1,0,0,0|2,0,0]=4 3019 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [0,1,1,0,0,0|2,0,0]=4 3020 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [0,1,1,0,0,0|2,0,0]=4 3021 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210202 [0,1,1,0,0,0|1,0,0]=3 3022 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210202 [0,1,1,0,0,0|1,0,0]=3 3023 B13R1.4012 CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210202 [0,1,1,0,0,0|1,0,0]=3 3024 B13R1.4012 CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210202 [0,1,1,0,0,0|1,0,0]=3 3025 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])C 34a_100000763257_100000210202 [0,1,1,0,0,0|2,0,0]=4 3026 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])C 7a_100000763257_100000210202 [0,1,1,0,0,0|2,0,0]=4 3027 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100000210202_100012362612 [0,1,1,0,0,0|2,0,0]=4 3028 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210202 [0,1,1,0,0,0|2,0,0]=4 3029 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_100000210202_200011409216 [0,1,1,0,0,0|0,0,0]=2 3030 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210202 [0,1,1,0,0,0|0,0,0]=2 3031 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_100000210202_200012351544 [0,1,1,0,0,0|1,0,0]=3 3032 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210202 [0,1,1,0,0,0|1,0,0]=3 3033 B13R1.4012 CNCc1c(cccc1C(=O)C)Br 26a_100102657272_100009815558 [0,1,1,0,0,0|2,0,0]=4 3034 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 2230a_106832991635_100010254497 [0,1,1,0,0,0|2,0,0]=4 3035 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 34a_100102657272_100010254497 [0,1,1,0,0,0|2,0,0]=4 3036 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 7a_106832991635_100010254497 [0,1,1,0,0,0|2,0,0]=4 3037 B13R1.4012 COCc1c(cccc1[N+](=O)[O-])C 34a_100009850887_200000210301 [0,1,1,0,0,0|2,0,0]=4 3038 B13R1.4012 COCc1c(cccc1[N+](=O)[O-])C 34a_100138415774_100010254497 [0,1,1,0,0,0|2,0,0]=4 3039 B13R1.4012 COCc1c(cccc1[N+](=O)[O-])C 7a_100009850887_200000210301 [0,1,1,0,0,0|2,0,0]=4 3040 B13R1.4012 Cc1cccc(c1CO[13CH3])[N+](=O)[O-] 34a_100009850887_200025704644 [0,1,1,0,0,0|2,0,0]=4 3041 B13R1.4012 Cc1cccc(c1CO[13CH3])[N+](=O)[O-] 7a_100009850887_200025704644 [0,1,1,0,0,0|2,0,0]=4 3042 B13R1.4012 Cc1cccc(c1NCF)C(=O)N 34a_100000223273_100015361967 [0,1,1,0,0,0|1,0,0]=3 3043 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_100015361967_200011409216 [0,1,1,0,0,0|1,0,0]=3 3044 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_200011409216_100015361967 [0,1,1,0,0,0|1,0,0]=3 3045 B13R1.4012 NC(=O)c1cccc(c1NCF)Cl 34a_200011997947_100015361967 [0,1,1,0,0,0|2,0,0]=4 3046 B13R1.4012 NC(=O)c1cccc(c1NCF)F 34a_100011722151_100015361967 [0,1,1,0,0,0|2,0,0]=4 3047 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 34a_100009868166_100015361967 [0,1,1,0,0,0|2,0,0]=4 3048 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 7a_100009868166_100015361967 [0,1,1,0,0,0|2,0,0]=4 3049 B13R1.4012 NC(=O)c1cccc(c1OCF)F 34a_100009886295_100015361967 [0,1,1,0,0,0|2,0,0]=4 3050 B13R1.4012 NC(=O)c1cccc(c1OCF)F 7a_100009886295_100015361967 [0,1,1,0,0,0|2,0,0]=4 3051 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_100015361967_200012351544 [0,1,1,0,0,0|2,0,0]=4 3052 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_200012351544_100015361967 [0,1,1,0,0,0|2,0,0]=4 3053 B13R1.16 CCNCCc1cccc(c1C)Br 2230a_100161000114_100000210202 [0,1,1,0,0,0|1,0,1]=4 3054 B13R1.16 CCNCCc1cccc(c1C)Br 34a_100161000114_100000210202 [0,1,1,0,0,0|1,0,1]=4 3055 B13R1.16 Cc1c(cccc1CCNCF)Br 34a_100161000114_100015361967 [0,1,1,0,0,0|1,0,1]=4 3056 B13R1.16 Cc1c(cccc1CNCC=O)Br 34a_100000724210_200009817547 [0,1,1,0,0,0|2,0,0]=4 3057 B13R1.16 Cc1c(cccc1CNCC=O)Cl 2230a_100020639605_200015260668 [0,1,1,0,0,0|2,0,0]=4 3058 B13R1.16 Cc1c(cccc1CNCC=O)Cl 34a_100020639605_200009817547 [0,1,1,0,0,0|2,0,0]=4 3059 B13R1.16 Cc1c(cccc1CNCC=O)F 2230a_100132306986_200015260668 [0,1,1,0,0,0|2,0,0]=4 3060 B13R1.16 Cc1c(cccc1CNCC=O)F 34a_100132306986_200009817547 [0,1,1,0,0,0|2,0,0]=4 3061 B13R1.16 Cc1c(cccc1COCC=O)Br 34a_100000694458_200009817547 [0,1,1,0,0,0|2,0,0]=4 3062 B13R1.16 Cc1c(cccc1COCC=O)Br 7a_100000694458_200015260668 [0,1,1,0,0,0|2,0,0]=4 3063 B13R1.16 Cc1c(cccc1COCC=O)Cl 34a_100012000165_200009817547 [0,1,1,0,0,0|2,0,0]=4 3064 B13R1.16 Cc1c(cccc1COCC=O)Cl 7a_100012000165_200015260668 [0,1,1,0,0,0|2,0,0]=4 3065 B13R1.16 Cc1c(cccc1COCC=O)F 34a_100000042775_200009817547 [0,1,1,0,0,0|2,0,0]=4 3066 B13R1.16 Cc1c(cccc1COCC=O)F 7a_100000042775_200015260668 [0,1,1,0,0,0|2,0,0]=4 3067 B13R1.16 Cc1c(cccc1COCC=O)I 34a_100010150139_200009817547 [0,1,1,0,0,0|2,0,0]=4 3068 B13R1.16 Cc1c(cccc1COCC=O)I 7a_100010150139_200015260668 [0,1,1,0,0,0|2,0,0]=4 3069 B13R1.16 Cc1c(cccc1COCC=O)N 34a_102495339961_200009817547 [0,1,1,0,0,0|2,0,0]=4 3070 B13R1.16 Cc1c(cccc1COCC=O)N 7a_102495339961_200015260668 [0,1,1,0,0,0|2,0,0]=4 3071 B13R1.16 Cc1c(cccc1CSCC=O)Br 62a_100000694682_200015260668 [0,1,1,0,0,0|2,0,0]=4 3072 B13R1.16 Cc1c(cccc1CSCC=O)Br 62a_200015260668_100000694682 [0,1,1,0,0,0|2,0,0]=4 3073 B13R1.16 Cc1c(cccc1CSCC=O)Cl 62a_100012186920_200015260668 [0,1,1,0,0,0|2,0,0]=4 3074 B13R1.16 Cc1c(cccc1CSCC=O)Cl 62a_200015260668_100012186920 [0,1,1,0,0,0|2,0,0]=4 3075 B13R1.16 Cc1c(cccc1CSCC=O)F 62a_100009813626_200015260668 [0,1,1,0,0,0|2,0,0]=4 3076 B13R1.16 Cc1c(cccc1CSCC=O)F 62a_200015260668_100009813626 [0,1,1,0,0,0|2,0,0]=4 3077 B13R1.16 Cc1c(cccc1CSCC=O)I 62a_100010150147_200015260668 [0,1,1,0,0,0|2,0,0]=4 3078 B13R1.16 Cc1c(cccc1CSCC=O)I 62a_200015260668_100010150147 [0,1,1,0,0,0|2,0,0]=4 3079 B13R1.16 Cc1cccc(c1C)CNCC=O 2230a_100011211637_200015260668 [0,1,1,0,0,0|2,0,0]=4 3080 B13R1.16 Cc1cccc(c1C)CNCC=O 34a_100011211637_200009817547 [0,1,1,0,0,0|2,0,0]=4 3081 B13R1.16 Cc1cccc(c1C)COCC=O 34a_100011219135_200009817547 [0,1,1,0,0,0|2,0,0]=4 3082 B13R1.16 Cc1cccc(c1C)COCC=O 7a_100011219135_200015260668 [0,1,1,0,0,0|2,0,0]=4 3083 B13R1.16 Cc1cccc(c1C)CSCC=O 62a_100011515928_200015260668 [0,1,1,0,0,0|2,0,0]=4 3084 B13R1.16 Cc1cccc(c1C)CSCC=O 62a_200015260668_100011515928 [0,1,1,0,0,0|2,0,0]=4 3085 B13R1.84 CCNCCc1ccccc1CC 2230a_100011663701_100000210202 [0,1,1,0,0,0|1,0,1]=4 3086 B13R1.84 CCNCCc1ccccc1CC 34a_100011663701_100000210202 [0,1,1,0,0,0|1,0,1]=4 3087 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [0,1,1,0,0,0|1,0,1]=4 3088 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [0,1,1,0,0,0|1,0,1]=4 3089 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [0,1,1,0,0,0|1,0,1]=4 3090 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [0,1,1,0,0,0|1,0,1]=4 3091 B13R1.84 CCc1ccccc1CCNCF 34a_100011663701_100015361967 [0,1,1,0,0,0|1,0,1]=4 3092 B13R1.84 CCc1ccccc1COCC=O 34a_100011663872_200009817547 [0,1,1,0,0,0|2,0,0]=4 3093 B13R1.84 CCc1ccccc1COCC=O 7a_100011663872_200015260668 [0,1,1,0,0,0|2,0,0]=4 3094 B13R1.84 COc1ccccc1CCNCF 34a_100000211851_100015361967 [0,1,1,0,0,0|1,0,1]=4 3095 B13R1.84 COc1ccccc1CNCC=O 34a_100000188900_200009817547 [0,1,1,0,0,0|2,0,0]=4 3096 B13R1.84 COc1ccccc1COCC=O 34a_100000211301_200009817547 [0,1,1,0,0,0|2,0,0]=4 3097 B13R1.84 COc1ccccc1CSCC=O 62a_100000210004_200015260668 [0,1,1,0,0,0|2,0,0]=4 3098 B13R1.84 COc1ccccc1CSCC=O 62a_200015260668_100000210004 [0,1,1,0,0,0|2,0,0]=4 3099 B13R1.84 CSc1ccccc1CNCC=O 34a_102495365025_200009817547 [0,1,1,0,0,0|2,0,0]=4 3100 B13R1.84 CSc1ccccc1COCC=O 34a_100000699167_200009817547 [0,1,1,0,0,0|2,0,0]=4 3101 B13R1.84 CSc1ccccc1CSCC=O 62a_100000699184_200015260668 [0,1,1,0,0,0|2,0,0]=4 3102 B13R1.84 CSc1ccccc1CSCC=O 62a_200015260668_100000699184 [0,1,1,0,0,0|2,0,0]=4 3103 B13R1.84 NCc1ccccc1COCC=O 34a_100000743596_200009817547 [0,1,1,0,0,0|2,0,0]=4 3104 B13R1.84 O=CCOCc1ccccc1CBr 34a_100009816955_200009817547 [0,1,1,0,0,0|2,0,0]=4 3105 B13R1.84 O=CCOCc1ccccc1CBr 7a_100009816955_200015260668 [0,1,1,0,0,0|2,0,0]=4 3106 B13R1.84 O=CCSCc1ccccc1CO 62a_100009816955_200015260668 [0,1,1,0,0,0|2,0,0]=4 3107 B13R1.84 O=CCSCc1ccccc1CO 62a_200015260668_100009816955 [0,1,1,0,0,0|2,0,0]=4 3108 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,1,0,0,0|2,0,0]=4 3109 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,1,0,0,0|2,0,0]=4 3110 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,1,0,0,0|2,0,0]=4 3111 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,1,1,0,0,0|2,0,0]=4 3112 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,1,1,0,0,0|2,0,0]=4 3113 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,1,1,0,0,0|2,0,0]=4 3114 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,1,1,0,0,0|2,0,0]=4 3115 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,1,1,0,0,0|2,0,0]=4 3116 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,1,0,0,0|2,0,0]=4 3117 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,1,0,0,0|2,0,0]=4 3118 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,1,0,0,0|1,0,0]=3 3119 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,1,0,0,0|1,0,0]=3 3120 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,1,0,0,0|1,0,0]=3 3121 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,1,0,0,0|1,0,0]=3 3122 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,1,0,0,0|0,0,0]=2 3123 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,1,0,0,0|0,0,0]=2 3124 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,1,0,0,0|0,0,0]=2 3125 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,1,0,0,0|0,0,0]=2 3126 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,1,0,0,0|1,0,0]=3 3127 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,1,0,0,0|1,0,0]=3 3128 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,1,0,0,0|1,0,0]=3 3129 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,1,0,0,0|1,0,0]=3 3130 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,1,0,0,0|1,0,0]=3 3131 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,1,0,0,0|1,0,0]=3 3132 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,1,0,0,0|1,0,0]=3 3133 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,1,0,0,0|1,0,0]=3 3134 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,1,0,0,0|1,0,0]=3 3135 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,1,0,0,0|1,0,0]=3 3136 B13R1.158 CC(=O)NCCn1ccccc1=O 1626a_100000687133_100015343762 [0,1,1,0,0,0|2,0,0]=4 3137 B13R1.158 CC(=O)NCCn1ccccc1=O 240690a_100000687133_100015343762 [0,1,1,0,0,0|2,0,0]=4 3138 B13R1.158 CC(=O)NCCn1ccccc1=O 527a_100000687133_100103153847 [0,1,1,0,0,0|2,0,0]=4 3139 B13R1.158 CC(=O)NN=Cc1ccccc1C 4a_100000189765_100000211143 [0,1,1,0,0,0|1,0,1]=4 3140 B13R1.158 CC(=O)NNCc1ccccc1Br 22a_200016993956_100000070787 [0,1,1,0,0,0|2,0,0]=4 3141 B13R1.158 CC(=O)NNCc1ccccc1C 22a_100000737298_100000070787 [0,1,1,0,0,0|1,0,0]=3 3142 B13R1.158 CC(=O)NNCc1ccccc1Cl 22a_100015187261_100000070787 [0,1,1,0,0,0|2,0,0]=4 3143 B13R1.158 CC(=O)NNCc1ccccc1F 22a_100015200773_100000070787 [0,1,1,0,0,0|2,0,0]=4 3144 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,1,1,0,0,0|2,0,0]=4 3145 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,1,1,0,0,0|2,0,0]=4 3146 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,1,1,0,0,0|2,0,0]=4 3147 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,1,1,0,0,0|2,0,0]=4 3148 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,1,1,0,0,0|1,0,1]=4 3149 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,1,1,0,0,0|1,0,1]=4 3150 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,1,1,0,0,0|1,0,1]=4 3151 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,1,1,0,0,0|1,0,1]=4 3152 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,1,1,0,0,0|2,0,0]=4 3153 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,1,1,0,0,0|2,0,0]=4 3154 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,1,0,0,0|2,0,0]=4 3155 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [0,1,1,0,0,0|2,0,0]=4 3156 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,1,1,0,0,0|2,0,0]=4 3157 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,1,1,0,0,0|2,0,0]=4 3158 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,1,1,0,0,0|2,0,0]=4 3159 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,1,1,0,0,0|2,0,0]=4 3160 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,1,1,0,0,0|2,0,0]=4 3161 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,1,0,0,0|2,0,0]=4 3162 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [0,1,1,0,0,0|2,0,0]=4 3163 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [0,1,1,0,0,0|2,0,0]=4 3164 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,1,1,0,0,0|2,0,0]=4 3165 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,1,1,0,0,0|2,0,0]=4 3166 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,1,1,0,0,0|2,0,0]=4 3167 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,1,1,0,0,0|2,0,0]=4 3168 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [0,1,1,0,0,0|2,0,0]=4 3169 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [0,1,1,0,0,0|2,0,0]=4 3170 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,1,0,0,0|2,0,0]=4 3171 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,1,0,0,0|2,0,0]=4 3172 B13R1.369 CCNCCc1ccc(cc1C)C 2230a_100000745621_100000210202 [0,1,1,0,0,0|1,0,1]=4 3173 B13R1.369 CCNCCc1ccc(cc1C)C 270004a_100015525214_100011754701 [0,1,1,0,0,0|1,0,1]=4 3174 B13R1.369 CCNCCc1ccc(cc1C)C 34a_100000745621_100000210202 [0,1,1,0,0,0|1,0,1]=4 3175 B13R1.369 Cc1cc(ccc1CNCC=O)Br 34a_100000753881_200009817547 [0,1,1,0,0,0|2,0,0]=4 3176 B13R1.369 Cc1cc(ccc1CNCC=O)Cl 34a_103436540063_200009817547 [0,1,1,0,0,0|2,0,0]=4 3177 B13R1.369 Cc1cc(ccc1CNCC=O)F 34a_100137329023_200009817547 [0,1,1,0,0,0|2,0,0]=4 3178 B13R1.369 Cc1cc(ccc1COCC=O)Br 34a_100000748258_200009817547 [0,1,1,0,0,0|2,0,0]=4 3179 B13R1.369 Cc1cc(ccc1COCC=O)Br 7a_100000748258_200015260668 [0,1,1,0,0,0|2,0,0]=4 3180 B13R1.369 Cc1cc(ccc1COCC=O)Cl 34a_100000702939_200009817547 [0,1,1,0,0,0|2,0,0]=4 3181 B13R1.369 Cc1cc(ccc1COCC=O)Cl 7a_100000702939_200015260668 [0,1,1,0,0,0|2,0,0]=4 3182 B13R1.369 Cc1cc(ccc1COCC=O)F 34a_100000700136_200009817547 [0,1,1,0,0,0|2,0,0]=4 3183 B13R1.369 Cc1cc(ccc1COCC=O)F 7a_100000700136_200015260668 [0,1,1,0,0,0|2,0,0]=4 3184 B13R1.369 Cc1cc(ccc1COCC=O)N 34a_100000102464_200009817547 [0,1,1,0,0,0|2,0,0]=4 3185 B13R1.369 Cc1cc(ccc1COCC=O)N 7a_100000102464_200015260668 [0,1,1,0,0,0|2,0,0]=4 3186 B13R1.369 Cc1cc(ccc1CSCC=O)Br 62a_100000708836_200015260668 [0,1,1,0,0,0|2,0,0]=4 3187 B13R1.369 Cc1cc(ccc1CSCC=O)Br 62a_200015260668_100000708836 [0,1,1,0,0,0|2,0,0]=4 3188 B13R1.369 Cc1cc(ccc1CSCC=O)Cl 62a_100012361307_200015260668 [0,1,1,0,0,0|2,0,0]=4 3189 B13R1.369 Cc1cc(ccc1CSCC=O)Cl 62a_200015260668_100012361307 [0,1,1,0,0,0|2,0,0]=4 3190 B13R1.369 Cc1cc(ccc1CSCC=O)F 62a_100000700533_200015260668 [0,1,1,0,0,0|2,0,0]=4 3191 B13R1.369 Cc1cc(ccc1CSCC=O)F 62a_200015260668_100000700533 [0,1,1,0,0,0|2,0,0]=4 3192 B13R1.369 Cc1ccc(c(c1)C)CCNCF 34a_100000745621_100015361967 [0,1,1,0,0,0|1,0,1]=4 3193 B13R1.369 Cc1ccc(c(c1)C)CNCC=O 34a_100000737523_200009817547 [0,1,1,0,0,0|2,0,0]=4 3194 B13R1.369 Cc1ccc(c(c1)C)COCC=O 34a_100011215341_200009817547 [0,1,1,0,0,0|2,0,0]=4 3195 B13R1.369 Cc1ccc(c(c1)C)COCC=O 7a_100011215341_200015260668 [0,1,1,0,0,0|2,0,0]=4 3196 B13R1.369 Cc1ccc(c(c1)C)CSCC=O 62a_100011219618_200015260668 [0,1,1,0,0,0|2,0,0]=4 3197 B13R1.369 Cc1ccc(c(c1)C)CSCC=O 62a_200015260668_100011219618 [0,1,1,0,0,0|2,0,0]=4 3198 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,1,1,0,0,0|1,0,1]=4 3199 B13R1.470 Cc1ccccc1CN(C)CC=O 2230a_100000184421_200015260668 [0,1,1,0,0,0|2,0,0]=4 3200 B13R1.470 Cc1ccccc1CN(C)CC=O 269982a_100000184421_200015260668 [0,1,1,0,0,0|2,0,0]=4 3201 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [0,1,1,0,0,0|2,0,0]=4 3202 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,1,1,0,0,0|1,0,1]=4 3203 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,1,1,0,0,0|1,0,1]=4 3204 B13R1.555 C#CCNCCc1ccccc1C 2230a_100000685071_100000038162 [0,1,1,0,0,0|1,0,1]=4 3205 B13R1.555 C#CCNCCc1ccccc1C 34a_100000212058_100011713688 [0,1,1,0,0,0|1,0,1]=4 3206 B13R1.555 C#CCNCCc1ccccc1C 34a_100000685071_100000184674 [0,1,1,0,0,0|1,0,1]=4 3207 B13R1.555 C/C=C/CNCc1ccccc1C 34a_100000174972_100102629194 [0,1,1,0,0,0|2,0,0]=4 3208 B13R1.555 C/C=C/COCc1ccccc1C 34a_100000698903_100102629194 [0,1,1,0,0,0|2,0,0]=4 3209 B13R1.555 C/C=C/COCc1ccccc1C 34a_100016270725_100000211839 [0,1,1,0,0,0|2,0,0]=4 3210 B13R1.555 C/C=C/COCc1ccccc1C 7a_100000698903_100102629194 [0,1,1,0,0,0|2,0,0]=4 3211 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100000211839_100102629194 [0,1,1,0,0,0|2,0,0]=4 3212 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100102629194_100000211839 [0,1,1,0,0,0|2,0,0]=4 3213 B13R1.555 C=CCCCNc1ccccc1C 34a_100015192222_100000757094 [0,1,1,0,0,0|2,0,0]=4 3214 B13R1.555 C=CCCCOc1ccccc1C 34a_100000210338_100000757094 [0,1,1,0,0,0|2,0,0]=4 3215 B13R1.555 C=CCCCOc1ccccc1C 7a_100000210338_100000757094 [0,1,1,0,0,0|2,0,0]=4 3216 B13R1.555 C=CCCCSc1ccccc1C 62a_100000210755_100000757094 [0,1,1,0,0,0|2,0,0]=4 3217 B13R1.555 C=CCCCSc1ccccc1C 62a_100011713584_100000210755 [0,1,1,0,0,0|2,0,0]=4 3218 B13R1.555 C=CCCNCc1ccccc1C 207a_100015191253_100000211143 [0,1,1,0,0,0|2,0,0]=4 3219 B13R1.555 C=CCCNCc1ccccc1C 2230a_100015191253_100000211839 [0,1,1,0,0,0|2,0,0]=4 3220 B13R1.555 C=CCCNCc1ccccc1C 270004a_100015191253_100000211143 [0,1,1,0,0,0|2,0,0]=4 3221 B13R1.555 C=CCCNCc1ccccc1C 34a_100000174972_100000754431 [0,1,1,0,0,0|2,0,0]=4 3222 B13R1.555 C=CCCOCc1ccccc1C 34a_100000698903_100000754431 [0,1,1,0,0,0|2,0,0]=4 3223 B13R1.555 C=CCCOCc1ccccc1C 34a_100011205117_100000211839 [0,1,1,0,0,0|2,0,0]=4 3224 B13R1.555 C=CCCOCc1ccccc1C 7a_100000698903_100000754431 [0,1,1,0,0,0|2,0,0]=4 3225 B13R1.555 C=CCCSCc1ccccc1C 62a_100000211839_100000754431 [0,1,1,0,0,0|2,0,0]=4 3226 B13R1.555 C=CCCSCc1ccccc1C 62a_100000754431_100000211839 [0,1,1,0,0,0|2,0,0]=4 3227 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100000747383_100000210623 [0,1,1,0,0,0|2,0,0]=4 3228 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100020586998_100012161201 [0,1,1,0,0,0|2,0,0]=4 3229 B13R1.555 C=CCNCCc1ccccc1Br 34a_100000747383_100015514636 [0,1,1,0,0,0|2,0,0]=4 3230 B13R1.555 C=CCNCCc1ccccc1C 2230a_100000685071_100000210623 [0,1,1,0,0,0|1,0,0]=3 3231 B13R1.555 C=CCNCCc1ccccc1C 2230a_100020586998_100011713688 [0,1,1,0,0,0|1,0,0]=3 3232 B13R1.555 C=CCNCCc1ccccc1C 34a_100000685071_100015514636 [0,1,1,0,0,0|1,0,0]=3 3233 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100011207228_100000210623 [0,1,1,0,0,0|2,0,0]=4 3234 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100020586998_100011713703 [0,1,1,0,0,0|2,0,0]=4 3235 B13R1.555 C=CCNCCc1ccccc1Cl 270004a_100020586998_200011713468 [0,1,1,0,0,0|2,0,0]=4 3236 B13R1.555 C=CCNCCc1ccccc1Cl 34a_100011207228_100015514636 [0,1,1,0,0,0|2,0,0]=4 3237 B13R1.555 C=CCNCCc1ccccc1F 2230a_100000185272_100000210623 [0,1,1,0,0,0|2,0,0]=4 3238 B13R1.555 C=CCNCCc1ccccc1F 2230a_100020586998_100011713696 [0,1,1,0,0,0|2,0,0]=4 3239 B13R1.555 C=CCNCCc1ccccc1F 34a_100000185272_100015514636 [0,1,1,0,0,0|2,0,0]=4 3240 B13R1.555 C=CCNCCc1ccccc1O 34a_100011207237_100015514636 [0,1,1,0,0,0|2,0,0]=4 3241 B13R1.555 C=CCOCCc1ccccc1C 34a_100011220023_100015514636 [0,1,1,0,0,0|2,0,0]=4 3242 B13R1.555 C=CCOCCc1ccccc1C 34a_200000210373_100011713688 [0,1,1,0,0,0|2,0,0]=4 3243 B13R1.555 C=CCOCCc1ccccc1C 7a_100011220023_100015514636 [0,1,1,0,0,0|2,0,0]=4 3244 B13R1.555 C=CCSCCc1ccccc1C 62a_100000210623_100011713688 [0,1,1,0,0,0|2,0,0]=4 3245 B13R1.555 C=CCSCCc1ccccc1C 62a_100011713688_100000210623 [0,1,1,0,0,0|2,0,0]=4 3246 B13R1.555 C=COCCNc1ccccc1C 34a_100015192222_100000039644 [0,1,1,0,0,0|2,0,0]=4 3247 B13R1.555 C=COCCOc1ccccc1C 34a_100000210338_100000039644 [0,1,1,0,0,0|2,0,0]=4 3248 B13R1.555 C=COCCOc1ccccc1C 7a_100000210338_100000039644 [0,1,1,0,0,0|2,0,0]=4 3249 B13R1.555 C=COCCSc1ccccc1C 62a_100000039644_100000210755 [0,1,1,0,0,0|2,0,0]=4 3250 B13R1.555 C=COCCSc1ccccc1C 62a_100000210755_100000039644 [0,1,1,0,0,0|2,0,0]=4 3251 B13R1.555 CC=CCNCc1ccccc1C 34a_100000174972_100000070051 [0,1,1,0,0,0|2,0,0]=4 3252 B13R1.555 CC=CCOCc1ccccc1C 34a_100000698903_100000070051 [0,1,1,0,0,0|2,0,0]=4 3253 B13R1.555 CC=CCOCc1ccccc1C 7a_100000698903_100000070051 [0,1,1,0,0,0|2,0,0]=4 3254 B13R1.555 CC=CCSCc1ccccc1C 62a_100000070051_100000211839 [0,1,1,0,0,0|2,0,0]=4 3255 B13R1.555 CC=CCSCc1ccccc1C 62a_100000211839_100000070051 [0,1,1,0,0,0|2,0,0]=4 3256 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,1,1,0,0,0|1,0,1]=4 3257 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,1,1,0,0,0|1,0,1]=4 3258 B13R1.555 CCNCCOc1ccccc1C 2230a_100000743344_100000210202 [0,1,1,0,0,0|1,0,1]=4 3259 B13R1.555 CCNCCOc1ccccc1C 2230a_100015525214_100000184434 [0,1,1,0,0,0|1,0,1]=4 3260 B13R1.555 CCNCCOc1ccccc1C 34a_100000743344_100000210202 [0,1,1,0,0,0|1,0,1]=4 3261 B13R1.555 COCNCCc1ccccc1C 2230a_100000685071_100000766300 [0,1,1,0,0,0|0,0,2]=4 3262 B13R1.555 CSCNCCc1ccccc1C 2230a_100000685071_100011218213 [0,1,1,0,0,0|0,1,1]=4 3263 B13R1.555 CSCNCCc1ccccc1C 34a_100000685071_100011218213 [0,1,1,0,0,0|0,1,1]=4 3264 B13R1.555 C[n+]1ccccc1SCCCC=O 62a_200011292268_100000212160 [0,1,1,0,0,0|2,0,0]=4 3265 B13R1.555 Cc1ccccc1CCNCC#N 2230a_100000685071_100011215382 [0,1,1,0,0,0|1,0,1]=4 3266 B13R1.555 Cc1ccccc1CCNCC=O 2230a_100000685071_200015260668 [0,1,1,0,0,0|0,0,0]=2 3267 B13R1.555 Cc1ccccc1CCNCC=O 34a_100000685071_200009817547 [0,1,1,0,0,0|0,0,0]=2 3268 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [0,1,1,0,0,0|1,0,1]=4 3269 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [0,1,1,0,0,0|1,0,1]=4 3270 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [0,1,1,0,0,0|1,0,1]=4 3271 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [0,1,1,0,0,0|0,0,2]=4 3272 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [0,1,1,0,0,0|0,0,2]=4 3273 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [0,1,1,0,0,0|0,0,2]=4 3274 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [0,1,1,0,0,0|0,0,2]=4 3275 B13R1.555 Cc1ccccc1CCOCC=O 34a_100011220023_200009817547 [0,1,1,0,0,0|1,0,0]=3 3276 B13R1.555 Cc1ccccc1CCOCC=O 7a_100011220023_200015260668 [0,1,1,0,0,0|1,0,0]=3 3277 B13R1.555 Cc1ccccc1CCSCC=O 62a_100011713688_200015260668 [0,1,1,0,0,0|1,0,0]=3 3278 B13R1.555 Cc1ccccc1CCSCC=O 62a_200015260668_100011713688 [0,1,1,0,0,0|1,0,0]=3 3279 B13R1.555 Cc1ccccc1OCCCC=O 7a_100000210338_200011292268 [0,1,1,0,0,0|1,0,0]=3 3280 B13R1.555 Cc1ccccc1OCCNCF 34a_100000743344_100015361967 [0,1,1,0,0,0|1,0,1]=4 3281 B13R1.555 Cc1ccccc1SCCCC=O 62a_100000210755_200011292268 [0,1,1,0,0,0|1,0,0]=3 3282 B13R1.555 Cc1ccccc1SCCCC=O 62a_200011292268_100000210755 [0,1,1,0,0,0|1,0,0]=3 3283 B13R1.555 Cc1cccnc1CCOCC=O 34a_100011997706_200009817547 [0,1,1,0,0,0|2,0,0]=4 3284 B13R1.555 Cc1cccnc1CCOCC=O 7a_100011997706_200015260668 [0,1,1,0,0,0|2,0,0]=4 3285 B13R1.555 Cc1cccnc1SCCCC=O 62a_100000751373_200011292268 [0,1,1,0,0,0|2,0,0]=4 3286 B13R1.555 Cc1cccnc1SCCCC=O 62a_200011292268_100000751373 [0,1,1,0,0,0|2,0,0]=4 3287 B13R1.555 Cc1ccncc1OCCCC=O 7a_100011997053_200011292268 [0,1,1,0,0,0|2,0,0]=4 3288 B13R1.555 Cc1ccncc1SCCCC=O 62a_100000761580_200011292268 [0,1,1,0,0,0|2,0,0]=4 3289 B13R1.555 Cc1ccncc1SCCCC=O 62a_200011292268_100000761580 [0,1,1,0,0,0|2,0,0]=4 3290 B13R1.555 Cc1cnccc1SCCCC=O 62a_100000765111_200011292268 [0,1,1,0,0,0|2,0,0]=4 3291 B13R1.555 Cc1cnccc1SCCCC=O 62a_200011292268_100000765111 [0,1,1,0,0,0|2,0,0]=4 3292 B13R1.555 Cc1ncccc1OCCCC=O 7a_100000745507_200011292268 [0,1,1,0,0,0|2,0,0]=4 3293 B13R1.555 Cc1ncccc1SCCCC=O 62a_100000751574_200011292268 [0,1,1,0,0,0|2,0,0]=4 3294 B13R1.555 Cc1ncccc1SCCCC=O 62a_200011292268_100000751574 [0,1,1,0,0,0|2,0,0]=4 3295 B13R1.555 Nc1ccccc1CCOCC=O 34a_100011215289_200009817547 [0,1,1,0,0,0|2,0,0]=4 3296 B13R1.555 Nc1ccccc1OCCCC=O 7a_100000185747_200011292268 [0,1,1,0,0,0|2,0,0]=4 3297 B13R1.555 Nc1ccccc1SCCCC=O 62a_100000210017_200011292268 [0,1,1,0,0,0|2,0,0]=4 3298 B13R1.555 Nc1ccccc1SCCCC=O 62a_200011292268_100000210017 [0,1,1,0,0,0|2,0,0]=4 3299 B13R1.555 O=CCCCOc1ccccc1Br 7a_100000181306_200011292268 [0,1,1,0,0,0|2,0,0]=4 3300 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,1,1,0,0,0|2,0,0]=4 3301 B13R1.555 O=CCCCOc1ccccc1F 7a_100000210171_200011292268 [0,1,1,0,0,0|2,0,0]=4 3302 B13R1.555 O=CCCCOc1ccccc1I 7a_100000739446_200011292268 [0,1,1,0,0,0|2,0,0]=4 3303 B13R1.555 O=CCCCSc1ccccc1Br 62a_100000695589_200011292268 [0,1,1,0,0,0|2,0,0]=4 3304 B13R1.555 O=CCCCSc1ccccc1Br 62a_200011292268_100000695589 [0,1,1,0,0,0|2,0,0]=4 3305 B13R1.555 O=CCCCSc1ccccc1Cl 62a_100000764095_200011292268 [0,1,1,0,0,0|2,0,0]=4 3306 B13R1.555 O=CCCCSc1ccccc1Cl 62a_200011292268_100000764095 [0,1,1,0,0,0|2,0,0]=4 3307 B13R1.555 O=CCCCSc1ccccc1F 62a_100011215700_200011292268 [0,1,1,0,0,0|2,0,0]=4 3308 B13R1.555 O=CCCCSc1ccccc1F 62a_200011292268_100011215700 [0,1,1,0,0,0|2,0,0]=4 3309 B13R1.555 O=CCCCSc1ccccc1O 62a_100000739446_200011292268 [0,1,1,0,0,0|2,0,0]=4 3310 B13R1.555 O=CCCCSc1ccccc1O 62a_200011292268_100000739446 [0,1,1,0,0,0|2,0,0]=4 3311 B13R1.555 O=CCNCCc1ccccc1Br 2230a_100000747383_200015260668 [0,1,1,0,0,0|1,0,0]=3 3312 B13R1.555 O=CCNCCc1ccccc1Br 34a_100000747383_200009817547 [0,1,1,0,0,0|1,0,0]=3 3313 B13R1.555 O=CCNCCc1ccccc1Cl 2230a_100011207228_200015260668 [0,1,1,0,0,0|1,0,0]=3 3314 B13R1.555 O=CCNCCc1ccccc1Cl 34a_100011207228_200009817547 [0,1,1,0,0,0|1,0,0]=3 3315 B13R1.555 O=CCNCCc1ccccc1F 2230a_100000185272_200015260668 [0,1,1,0,0,0|1,0,0]=3 3316 B13R1.555 O=CCNCCc1ccccc1F 34a_100000185272_200009817547 [0,1,1,0,0,0|1,0,0]=3 3317 B13R1.555 O=CCNCCc1ccccc1O 34a_100011207237_200009817547 [0,1,1,0,0,0|1,0,0]=3 3318 B13R1.555 O=CCNCCn1ccccc1=O 2230a_100000687133_200015260668 [0,1,1,0,0,0|2,0,0]=4 3319 B13R1.555 O=CCOCCc1ccccc1Br 34a_100000731337_200009817547 [0,1,1,0,0,0|2,0,0]=4 3320 B13R1.555 O=CCOCCc1ccccc1Br 7a_100000731337_200015260668 [0,1,1,0,0,0|2,0,0]=4 3321 B13R1.555 O=CCOCCc1ccccc1Cl 34a_100011215284_200009817547 [0,1,1,0,0,0|2,0,0]=4 3322 B13R1.555 O=CCOCCc1ccccc1Cl 7a_100011215284_200015260668 [0,1,1,0,0,0|2,0,0]=4 3323 B13R1.555 O=CCOCCc1ccccc1F 34a_100000753711_200009817547 [0,1,1,0,0,0|2,0,0]=4 3324 B13R1.555 O=CCOCCc1ccccc1F 7a_100000753711_200015260668 [0,1,1,0,0,0|2,0,0]=4 3325 B13R1.555 O=CCOCCc1ccccc1I 34a_100010255290_200009817547 [0,1,1,0,0,0|2,0,0]=4 3326 B13R1.555 O=CCOCCc1ccccc1I 7a_100010255290_200015260668 [0,1,1,0,0,0|2,0,0]=4 3327 B13R1.555 O=CCSCCc1ccccc1Br 62a_100012161201_200015260668 [0,1,1,0,0,0|2,0,0]=4 3328 B13R1.555 O=CCSCCc1ccccc1Br 62a_200015260668_100012161201 [0,1,1,0,0,0|2,0,0]=4 3329 B13R1.555 O=CCSCCc1ccccc1Cl 62a_100011713703_200015260668 [0,1,1,0,0,0|2,0,0]=4 3330 B13R1.555 O=CCSCCc1ccccc1Cl 62a_200015260668_100011713703 [0,1,1,0,0,0|2,0,0]=4 3331 B13R1.555 O=CCSCCc1ccccc1F 62a_100011713696_200015260668 [0,1,1,0,0,0|2,0,0]=4 3332 B13R1.555 O=CCSCCc1ccccc1F 62a_200015260668_100011713696 [0,1,1,0,0,0|2,0,0]=4 3333 B13R1.555 O=CCSCCc1ccccc1O 62a_100000722297_200015260668 [0,1,1,0,0,0|2,0,0]=4 3334 B13R1.555 O=CCSCCc1ccccc1O 62a_200015260668_100000722297 [0,1,1,0,0,0|2,0,0]=4 3335 B13R1.656 CCNCCc1cc(ccc1C)C 2230a_200011485678_100000210202 [0,1,1,0,0,0|1,0,1]=4 3336 B13R1.656 CCNCCc1cc(ccc1C)C 34a_200011485678_100000210202 [0,1,1,0,0,0|1,0,1]=4 3337 B13R1.656 Cc1ccc(c(c1)CCNCF)C 34a_200011485678_100015361967 [0,1,1,0,0,0|1,0,1]=4 3338 B13R1.656 Cc1ccc(c(c1)CNCC=O)C 34a_100000174964_200009817547 [0,1,1,0,0,0|2,0,0]=4 3339 B13R1.656 Cc1ccc(c(c1)COCC=O)C 34a_200011215349_200009817547 [0,1,1,0,0,0|2,0,0]=4 3340 B13R1.656 Cc1ccc(c(c1)COCC=O)C 7a_200011215349_200015260668 [0,1,1,0,0,0|2,0,0]=4 3341 B13R1.656 Cc1ccc(c(c1)CSCC=O)C 62a_100000184699_200015260668 [0,1,1,0,0,0|2,0,0]=4 3342 B13R1.656 Cc1ccc(c(c1)CSCC=O)C 62a_200015260668_100000184699 [0,1,1,0,0,0|2,0,0]=4 3343 B13R1.656 Cc1ccc(cc1CNCC=O)Cl 34a_100000717755_200009817547 [0,1,1,0,0,0|2,0,0]=4 3344 B13R1.656 Cc1ccc(cc1CNCC=O)F 34a_100011217291_200009817547 [0,1,1,0,0,0|2,0,0]=4 3345 B13R1.656 Cc1ccc(cc1CNCC=O)O 34a_200009844824_200009817547 [0,1,1,0,0,0|2,0,0]=4 3346 B13R1.656 Cc1ccc(cc1COCC=O)Br 34a_100000700630_200009817547 [0,1,1,0,0,0|2,0,0]=4 3347 B13R1.656 Cc1ccc(cc1COCC=O)Br 7a_100000700630_200015260668 [0,1,1,0,0,0|2,0,0]=4 3348 B13R1.656 Cc1ccc(cc1COCC=O)Cl 34a_100012002407_200009817547 [0,1,1,0,0,0|2,0,0]=4 3349 B13R1.656 Cc1ccc(cc1COCC=O)Cl 7a_100012002407_200015260668 [0,1,1,0,0,0|2,0,0]=4 3350 B13R1.656 Cc1ccc(cc1COCC=O)F 34a_100011219218_200009817547 [0,1,1,0,0,0|2,0,0]=4 3351 B13R1.656 Cc1ccc(cc1COCC=O)F 7a_100011219218_200015260668 [0,1,1,0,0,0|2,0,0]=4 3352 B13R1.656 Cc1ccc(cc1COCC=O)I 34a_100010150140_200009817547 [0,1,1,0,0,0|2,0,0]=4 3353 B13R1.656 Cc1ccc(cc1COCC=O)I 7a_100010150140_200015260668 [0,1,1,0,0,0|2,0,0]=4 3354 B13R1.656 Cc1ccc(cc1CSCC=O)Cl 62a_100012186985_200015260668 [0,1,1,0,0,0|2,0,0]=4 3355 B13R1.656 Cc1ccc(cc1CSCC=O)Cl 62a_200015260668_100012186985 [0,1,1,0,0,0|2,0,0]=4 3356 B13R1.656 Cc1ccc(cc1CSCC=O)F 62a_100000709795_200015260668 [0,1,1,0,0,0|2,0,0]=4 3357 B13R1.656 Cc1ccc(cc1CSCC=O)F 62a_200015260668_100000709795 [0,1,1,0,0,0|2,0,0]=4 3358 B13R1.674 Cc1ccccc1C(C)NCC=O 2230a_100000181355_200015260668 [0,1,1,0,0,0|2,0,0]=4 3359 B13R1.674 Cc1ccccc1C(C)NCC=O 34a_100000181355_200009817547 [0,1,1,0,0,0|2,0,0]=4 3360 B13R1.674 Cc1ccccc1C(C)OCC=O 34a_100000742021_200009817547 [0,1,1,0,0,0|2,0,0]=4 3361 B13R1.674 Cc1ccccc1C(C)OCC=O 7a_100000742021_200015260668 [0,1,1,0,0,0|2,0,0]=4 3362 B13R1.8919 Cc1cccc(c1CNCC=O)C 34a_100000689800_200009817547 [0,1,1,0,0,0|2,0,0]=4 3363 B13R1.8919 Cc1cccc(c1CNCC=O)F 34a_100000762012_200009817547 [0,1,1,0,0,0|2,0,0]=4 3364 B13R1.8919 Cc1cccc(c1COCC=O)C 34a_100011933981_200009817547 [0,1,1,0,0,0|2,0,0]=4 3365 B13R1.8919 Cc1cccc(c1COCC=O)C 7a_100011933981_200015260668 [0,1,1,0,0,0|2,0,0]=4 3366 B13R1.8919 Cc1cccc(c1COCC=O)Cl 34a_100000082531_200009817547 [0,1,1,0,0,0|2,0,0]=4 3367 B13R1.8919 Cc1cccc(c1COCC=O)Cl 7a_100000082531_200015260668 [0,1,1,0,0,0|2,0,0]=4 3368 B13R1.8919 Cc1cccc(c1COCC=O)F 34a_100000057874_200009817547 [0,1,1,0,0,0|2,0,0]=4 3369 B13R1.8919 Cc1cccc(c1COCC=O)F 7a_100000057874_200015260668 [0,1,1,0,0,0|2,0,0]=4 3370 B13R1.8919 Cc1cccc(c1CSCC=O)Br 62a_100010146847_200015260668 [0,1,1,0,0,0|2,0,0]=4 3371 B13R1.8919 Cc1cccc(c1CSCC=O)Br 62a_200015260668_100010146847 [0,1,1,0,0,0|2,0,0]=4 3372 B13R1.8919 Cc1cccc(c1CSCC=O)C 62a_100000758300_200015260668 [0,1,1,0,0,0|2,0,0]=4 3373 B13R1.8919 Cc1cccc(c1CSCC=O)C 62a_200015260668_100000758300 [0,1,1,0,0,0|2,0,0]=4 3374 B13R1.8919 Cc1cccc(c1CSCC=O)F 62a_100009814554_200015260668 [0,1,1,0,0,0|2,0,0]=4 3375 B13R1.8919 Cc1cccc(c1CSCC=O)F 62a_200015260668_100009814554 [0,1,1,0,0,0|2,0,0]=4 3376 B13R1.8919 Cc1cccc(c1CSCC=O)I 62a_100010150146_200015260668 [0,1,1,0,0,0|2,0,0]=4 3377 B13R1.8919 Cc1cccc(c1CSCC=O)I 62a_200015260668_100010150146 [0,1,1,0,0,0|2,0,0]=4 3378 B13R1.1619 C#CCSc1c(cccc1C=O)C 62a_100000038162_100012186367 [0,1,1,0,0,0|1,0,1]=4 3379 B13R1.1619 C=CCSc1c(cccc1C=O)C 62a_100000210623_100012186367 [0,1,1,0,0,0|1,0,1]=4 3380 B13R1.1619 C=CCSc1c(cccc1C=O)C 62a_100012186367_100000210623 [0,1,1,0,0,0|1,0,1]=4 3381 B13R1.1619 CCCCc1c(cccc1C=O)F 271570a_100020621405_100011998484 [0,1,1,0,0,0|2,0,0]=4 3382 B13R1.1619 CCCCc1c(cccc1C=O)O 271570a_100020621405_100009816417 [0,1,1,0,0,0|2,0,0]=4 3383 B13R1.1619 CCCSc1c(cccc1C=O)C 62a_100000210303_100012186367 [0,1,1,0,0,0|1,0,0]=3 3384 B13R1.1619 CCCSc1c(cccc1C=O)C 62a_100012186367_100000210303 [0,1,1,0,0,0|1,0,0]=3 3385 B13R1.1619 CCCSc1c(cccc1C=O)F 62a_100000210303_100011934749 [0,1,1,0,0,0|2,0,0]=4 3386 B13R1.1619 CCCSc1c(cccc1C=O)F 62a_100011934749_100000210303 [0,1,1,0,0,0|2,0,0]=4 3387 B13R1.1619 CCCSc1c(cccc1C=O)O 62a_100000210303_100009816417 [0,1,1,0,0,0|2,0,0]=4 3388 B13R1.1619 CCCSc1c(cccc1C=O)O 62a_100009816417_100000210303 [0,1,1,0,0,0|2,0,0]=4 3389 B13R1.1619 CCNCc1c(cccc1C=O)F 2230a_100015525214_100010132767 [0,1,1,0,0,0|2,0,0]=4 3390 B13R1.1619 CCOCc1c(cccc1C=O)F 34a_100121572206_100010132767 [0,1,1,0,0,0|2,0,0]=4 3391 B13R1.1619 CCSCc1c(cccc1C=O)F 62a_100000210202_100010132767 [0,1,1,0,0,0|2,0,0]=4 3392 B13R1.1619 CCSCc1c(cccc1C=O)F 62a_100010132767_100000210202 [0,1,1,0,0,0|2,0,0]=4 3393 B13R1.1619 COCSc1c(cccc1C=O)C 62a_100000766300_100012186367 [0,1,1,0,0,0|2,0,0]=4 3394 B13R1.1619 COCSc1c(cccc1C=O)C 62a_100012186367_100000766300 [0,1,1,0,0,0|2,0,0]=4 3395 B13R1.1619 CSCSc1c(cccc1C=O)C 62a_100011218213_100012186367 [0,1,1,0,0,0|2,0,0]=4 3396 B13R1.1619 CSCSc1c(cccc1C=O)C 62a_100012186367_100011218213 [0,1,1,0,0,0|2,0,0]=4 3397 B13R1.1619 Cc1cccc(c1SCC#N)C=O 62a_100011215382_100012186367 [0,1,1,0,0,0|0,0,2]=4 3398 B13R1.1619 Cc1cccc(c1SCC#N)C=O 62a_100012186367_100011215382 [0,1,1,0,0,0|0,0,2]=4 3399 B13R1.1619 Cc1cccc(c1SCC=O)C=O 62a_100012186367_200015260668 [0,1,1,0,0,0|1,0,1]=4 3400 B13R1.1619 Cc1cccc(c1SCC=O)C=O 62a_200015260668_100012186367 [0,1,1,0,0,0|1,0,1]=4 3401 B13R1.1619 Cc1cccc(c1SCCF)C=O 62a_100011217306_100012186367 [0,1,1,0,0,0|1,0,0]=3 3402 B13R1.1619 Cc1cccc(c1SCCF)C=O 62a_100012186367_100011217306 [0,1,1,0,0,0|1,0,0]=3 3403 B13R1.1619 Cc1cccc(c1SCCO)C=O 62a_100000211926_100012186367 [0,1,1,0,0,0|1,0,0]=3 3404 B13R1.1619 Cc1cccc(c1SCCO)C=O 62a_100012186367_100000211926 [0,1,1,0,0,0|1,0,0]=3 3405 B13R1.1619 O=Cc1cccc(c1CSCF)F 62a_100010132767_100015361967 [0,1,1,0,0,0|2,0,0]=4 3406 B13R1.1619 O=Cc1cccc(c1CSCF)F 62a_100015361967_100010132767 [0,1,1,0,0,0|2,0,0]=4 3407 B13R1.1619 O=Cc1cccc(c1SCCF)F 62a_100011217306_100011934749 [0,1,1,0,0,0|2,0,0]=4 3408 B13R1.1619 O=Cc1cccc(c1SCCF)F 62a_100011934749_100011217306 [0,1,1,0,0,0|2,0,0]=4 3409 B13R1.1619 O=Cc1cccc(c1SCCF)O 62a_100009816417_100011217306 [0,1,1,0,0,0|2,0,0]=4 3410 B13R1.1619 O=Cc1cccc(c1SCCF)O 62a_100011217306_100009816417 [0,1,1,0,0,0|2,0,0]=4 3411 B13R1.1619 O=Cc1cccc(c1SCCO)F 62a_100000211926_100011934749 [0,1,1,0,0,0|2,0,0]=4 3412 B13R1.1619 O=Cc1cccc(c1SCCO)F 62a_100011934749_100000211926 [0,1,1,0,0,0|2,0,0]=4 3413 B13R1.1619 O=Cc1cccc(c1SCCO)O 62a_100000211926_100009816417 [0,1,1,0,0,0|2,0,0]=4 3414 B13R1.1619 O=Cc1cccc(c1SCCO)O 62a_100009816417_100000211926 [0,1,1,0,0,0|2,0,0]=4 3415 B13R1.2135 Cc1cccc(c1SC(C)C)C=O 62a_100000210206_100012186367 [0,1,1,0,0,0|2,0,0]=4 3416 B13R1.2135 Cc1cccc(c1SC(C)C)C=O 62a_100012186367_100000210206 [0,1,1,0,0,0|2,0,0]=4 3417 B13R1.3904 CCSc1c(cccc1OC)C=O 62a_100000210202_100010209554 [0,1,1,0,0,0|2,0,0]=4 3418 B13R1.3904 CCSc1c(cccc1OC)C=O 62a_100010209554_100000210202 [0,1,1,0,0,0|2,0,0]=4 3419 B13R1.3904 COc1cccc(c1SCF)C=O 62a_100010209554_100015361967 [0,1,1,0,0,0|2,0,0]=4 3420 B13R1.3904 COc1cccc(c1SCF)C=O 62a_100015361967_100010209554 [0,1,1,0,0,0|2,0,0]=4 3421 B13R1.3972 CCSc1c(ccc(c1C)F)C=O 62a_100000210202_100009872231 [0,1,1,0,0,0|2,0,0]=4 3422 B13R1.3972 CCSc1c(ccc(c1C)F)C=O 62a_100009872231_100000210202 [0,1,1,0,0,0|2,0,0]=4 3423 B13R1.3972 Cc1c(ccc(c1SCF)C=O)F 62a_100009872231_100015361967 [0,1,1,0,0,0|2,0,0]=4 3424 B13R1.3972 Cc1c(ccc(c1SCF)C=O)F 62a_100015361967_100009872231 [0,1,1,0,0,0|2,0,0]=4 3425 B13R1.4020 CCSc1c(ccc(c1C=O)F)C 62a_100000033498_100000210202 [0,1,1,0,0,0|2,0,0]=4 3426 B13R1.4020 CCSc1c(ccc(c1C=O)F)C 62a_100000210202_100000033498 [0,1,1,0,0,0|2,0,0]=4 3427 B13R1.4020 Cc1ccc(c(c1SCF)C=O)F 62a_100000033498_100015361967 [0,1,1,0,0,0|2,0,0]=4 3428 B13R1.4020 Cc1ccc(c(c1SCF)C=O)F 62a_100015361967_100000033498 [0,1,1,0,0,0|2,0,0]=4 3429 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [1,1,0,0,0,0|1,0,1]=4 3430 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [1,1,0,0,0,0|1,0,1]=4 3431 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [1,1,0,0,0,0|1,0,1]=4 3432 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [1,1,0,0,0,0|1,0,1]=4 3433 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [1,1,0,0,0,0|1,0,1]=4 3434 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [1,1,0,0,0,0|1,0,1]=4 3435 B13R2.32 Oc1ccc2c(c1F)CCNC2 271570a_203496583355_100015699739 [1,1,0,0,0,0|1,0,1]=4 3436 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [1,1,0,0,0,0|1,0,0]=3 3437 B13R2.162 O=C1CCCc2c1nc(cc2)O 271570a_203496583355_100000693748 [1,1,0,0,0,0|2,0,0]=4 3438 B13R2.162 O=C1CCNc2c1cc(cc2)O 271570a_203496583355_100000697366 [1,1,0,0,0,0|2,0,0]=4 3439 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [1,1,0,0,0,0|2,0,0]=4 3440 B13R2.162 O=C1CCSc2c1cc(cc2)O 271570a_203496583355_100000744447 [1,1,0,0,0,0|2,0,0]=4 3441 B13R2.162 O=C1COCc2c1cc(cc2)O 271570a_203496583355_100010205901 [1,1,0,0,0,0|2,0,0]=4 3442 B13R2.162 O=C1NCCc2c1cc(cc2)O 271570a_203496583355_100000688804 [1,1,0,0,0,0|0,0,0]=2 3443 B13R2.162 O=C1NCCc2c1cc(cn2)O 271570a_203496583355_100010128719 [1,1,0,0,0,0|1,0,0]=3 3444 B13R2.162 O=c1[nH]cnc2c1cc(cc2)O 271570a_203496583355_100000755678 [1,1,0,0,0,0|1,0,1]=4 3445 B13R2.162 O=c1[nH]ncc2c1cc(cc2)O 271570a_203496583355_100015864262 [1,1,0,0,0,0|1,0,1]=4 3446 B13R2.328 Cc1cc(cc2c1CCNC2)O 271570a_203496583355_100016068755 [1,1,0,0,0,0|0,0,1]=3 3447 B13R2.371 Nc1ccc(c2c1CNCC2)O 271570a_203496583355_200012351874 [1,1,0,0,0,0|1,0,1]=4 3448 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [1,1,0,0,0,0|1,0,1]=4 3449 B13R2.1613 C=Cc1cccc2c1CCN=C2 271570a_100011290941_100010982778 [1,1,0,0,0,0|0,0,2]=4 3450 B13R2.1613 C=Cc1cccc2c1CCNC2 271570a_100011290941_100000756787 [1,1,0,0,0,0|0,0,2]=4 3451 B13R2.1613 CNc1cccc2c1CCCC2 2230a_100000212177_200000210301 [1,1,0,0,0,0|1,0,1]=4 3452 B13R2.1613 CNc1cccc2c1CCCC2 34a_100000212177_200000210301 [1,1,0,0,0,0|1,0,1]=4 3453 B13R2.1613 COc1cccc2c1CCCC2 34a_100011202923_200000210301 [1,1,0,0,0,0|1,0,1]=4 3454 B13R2.1613 COc1cccc2c1CCCC2 7a_100011202923_200000210301 [1,1,0,0,0,0|1,0,1]=4 3455 B13R2.1613 COc1cccc2c1CCNC2 34a_100020635587_200000210301 [1,1,0,0,0,0|0,0,1]=3 3456 B13R2.1613 CSc1cccc2c1CCCC2 62a_100012354034_200000210301 [1,1,0,0,0,0|1,0,1]=4 3457 B13R2.1613 CSc1cccc2c1CCCC2 62a_200000210301_100012354034 [1,1,0,0,0,0|1,0,1]=4 3458 B13R2.1613 CSc1cccc2c1CCCN2 62a_100010196365_200000210301 [1,1,0,0,0,0|2,0,0]=4 3459 B13R2.1613 CSc1cccc2c1CCCN2 62a_200000210301_100010196365 [1,1,0,0,0,0|2,0,0]=4 3460 B13R2.1613 CSc1cccc2c1CCCO2 62a_100010188023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3461 B13R2.1613 CSc1cccc2c1CCCO2 62a_200000210301_100010188023 [1,1,0,0,0,0|2,0,0]=4 3462 B13R2.1613 CSc1cccc2c1CCN=C2 62a_100010982778_200000210301 [1,1,0,0,0,0|0,0,1]=3 3463 B13R2.1613 CSc1cccc2c1CCN=C2 62a_200000210301_100010982778 [1,1,0,0,0,0|0,0,1]=3 3464 B13R2.1613 CSc1cccc2c1CCNC2 62a_100000756787_200000210301 [1,1,0,0,0,0|0,0,1]=3 3465 B13R2.1613 CSc1cccc2c1CCNC2 62a_200000210301_100000756787 [1,1,0,0,0,0|0,0,1]=3 3466 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 2230a_100000212177_200025704644 [1,1,0,0,0,0|1,0,1]=4 3467 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 34a_100000212177_200025704644 [1,1,0,0,0,0|1,0,1]=4 3468 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 34a_100011202923_200025704644 [1,1,0,0,0,0|1,0,1]=4 3469 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 7a_100011202923_200025704644 [1,1,0,0,0,0|1,0,1]=4 3470 B13R2.1613 [13CH3]Oc1cccc2c1CCNC2 34a_100020635587_200025704644 [1,1,0,0,0,0|0,0,1]=3 3471 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_100012354034_200025704644 [1,1,0,0,0,0|1,0,1]=4 3472 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_200025704644_100012354034 [1,1,0,0,0,0|1,0,1]=4 3473 B13R2.1613 [13CH3]Sc1cccc2c1CCCN2 62a_100010196365_200025704644 [1,1,0,0,0,0|2,0,0]=4 3474 B13R2.1613 [13CH3]Sc1cccc2c1CCCN2 62a_200025704644_100010196365 [1,1,0,0,0,0|2,0,0]=4 3475 B13R2.1613 [13CH3]Sc1cccc2c1CCCO2 62a_100010188023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3476 B13R2.1613 [13CH3]Sc1cccc2c1CCCO2 62a_200025704644_100010188023 [1,1,0,0,0,0|2,0,0]=4 3477 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_100010982778_200025704644 [1,1,0,0,0,0|0,0,1]=3 3478 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_200025704644_100010982778 [1,1,0,0,0,0|0,0,1]=3 3479 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_100000756787_200025704644 [1,1,0,0,0,0|0,0,1]=3 3480 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_200025704644_100000756787 [1,1,0,0,0,0|0,0,1]=3 3481 B13R2.4818 O=C1CCCc2c1c(ccc2)O 271570a_203496583355_100009816782 [1,1,0,0,0,0|1,0,0]=3 3482 B13R2.4818 O=C1CCOc2c1c(ccc2)O 271570a_203496583355_100010205896 [1,1,0,0,0,0|2,0,0]=4 3483 B13R2.4818 O=c1[nH]cnc2c1c(ccc2)O 271570a_203496583355_100000696754 [1,1,0,0,0,0|1,0,1]=4 3484 B13R2.5179 CN1CCc2c(cccc2C1)Br 2230a_100000756787_200000210301 [1,1,0,0,0,0|1,0,1]=4 3485 B13R2.5179 CN1CCc2c(cccc2C1)Br 269982a_100000756787_200000210301 [1,1,0,0,0,0|1,0,1]=4 3486 B13R2.5179 CN1CCc2c(cccc2C1)Br 34a_100000756787_200000210301 [1,1,0,0,0,0|1,0,1]=4 3487 B13R2.5179 CN1CCc2c(cccc2C1)Cl 2230a_100015184967_200000210301 [1,1,0,0,0,0|1,0,1]=4 3488 B13R2.5179 CN1CCc2c(cccc2C1)Cl 269982a_100015184967_200000210301 [1,1,0,0,0,0|1,0,1]=4 3489 B13R2.5179 CN1CCc2c(cccc2C1)Cl 34a_100015184967_200000210301 [1,1,0,0,0,0|1,0,1]=4 3490 B13R2.5179 CN1CCc2c(cccc2C1)F 2230a_100016987532_200000210301 [1,1,0,0,0,0|1,0,1]=4 3491 B13R2.5179 CN1CCc2c(cccc2C1)F 269982a_100016987532_200000210301 [1,1,0,0,0,0|1,0,1]=4 3492 B13R2.5179 CN1CCc2c(cccc2C1)F 34a_100016987532_200000210301 [1,1,0,0,0,0|1,0,1]=4 3493 B13R2.5179 CN1CCc2c(cccc2C1)O 2230a_100020635587_200000210301 [1,1,0,0,0,0|1,0,1]=4 3494 B13R2.5179 CN1CCc2c(cccc2C1)O 269982a_100020635587_200000210301 [1,1,0,0,0,0|1,0,1]=4 3495 B13R2.5179 CN1CCc2c(cccc2C1)O 34a_100020635587_200000210301 [1,1,0,0,0,0|1,0,1]=4 3496 B13R2.5179 Cc1cccc2c1CCN(C2)C 2230a_200000752276_200000210301 [1,1,0,0,0,0|0,0,1]=3 3497 B13R2.5179 Cc1cccc2c1CCN(C2)C 269982a_200000752276_200000210301 [1,1,0,0,0,0|0,0,1]=3 3498 B13R2.5179 Cc1cccc2c1CCN(C2)C 34a_200000752276_200000210301 [1,1,0,0,0,0|0,0,1]=3 3499 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 2230a_200000752276_200025704644 [1,1,0,0,0,0|0,0,1]=3 3500 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 269982a_200000752276_200025704644 [1,1,0,0,0,0|0,0,1]=3 3501 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 34a_200000752276_200025704644 [1,1,0,0,0,0|0,0,1]=3 3502 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [1,1,0,0,0,0|1,0,0]=3 3503 B13R2.5179 O=C1CCCc2c1ccc(n2)O 271570a_203496583355_100000089724 [1,1,0,0,0,0|2,0,0]=4 3504 B13R2.5179 O=C1CCNc2c1ccc(c2)O 271570a_203496583355_100010157303 [1,1,0,0,0,0|2,0,0]=4 3505 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [1,1,0,0,0,0|2,0,0]=4 3506 B13R2.5179 O=C1CCSc2c1ccc(c2)O 271570a_203496583355_100010688399 [1,1,0,0,0,0|2,0,0]=4 3507 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [1,1,0,0,0,0|0,0,0]=2 3508 B13R2.5179 O=C1NCCc2c1ccc(n2)O 271570a_203496583355_100009858568 [1,1,0,0,0,0|1,0,0]=3 3509 B13R2.5179 O=c1[nH]cnc2c1ccc(c2)O 271570a_203496583355_100000230960 [1,1,0,0,0,0|1,0,1]=4 3510 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 2230a_100000756787_200025704644 [1,1,0,0,0,0|1,0,1]=4 3511 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 269982a_100000756787_200025704644 [1,1,0,0,0,0|1,0,1]=4 3512 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 34a_100000756787_200025704644 [1,1,0,0,0,0|1,0,1]=4 3513 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 2230a_100015184967_200025704644 [1,1,0,0,0,0|1,0,1]=4 3514 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 269982a_100015184967_200025704644 [1,1,0,0,0,0|1,0,1]=4 3515 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 34a_100015184967_200025704644 [1,1,0,0,0,0|1,0,1]=4 3516 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 2230a_100016987532_200025704644 [1,1,0,0,0,0|1,0,1]=4 3517 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 269982a_100016987532_200025704644 [1,1,0,0,0,0|1,0,1]=4 3518 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 34a_100016987532_200025704644 [1,1,0,0,0,0|1,0,1]=4 3519 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 2230a_100020635587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3520 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 269982a_100020635587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3521 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 34a_100020635587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3522 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,1,0,0,1,0|1,0,1]=4 3523 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,1,0,0,1,0|1,0,1]=4 3524 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,1,0,0,1,0|1,0,1]=4 3525 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,1,0,0,1,0|0,0,2]=4 3526 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,1,0,0,1,0|0,0,2]=4 3527 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,1,0,0,1,0|0,0,2]=4 3528 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,1,0,0,1,0|0,0,2]=4 3529 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,1,0,0,1,0|1,0,1]=4 3530 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,1,0,0,1,0|1,0,1]=4 3531 B13R2.573 C=Cc1cccc2c1CCC2=O 271570a_100011290941_100000744605 [0,1,0,0,1,0|0,0,1]=3 3532 B13R2.573 C=Cc1cccc2c1CNC2=O 271570a_100011290941_100000688282 [0,1,0,0,1,0|0,0,1]=3 3533 B13R2.573 C=Cc1cccc2c1COC2=O 271570a_100011290941_100010167076 [0,1,0,0,1,0|1,0,1]=4 3534 B13R2.573 C=Cc1cccc2c1OCC2=O 271570a_100011290941_100011230590 [0,1,0,0,1,0|1,0,1]=4 3535 B13R2.573 C=Cc1cccc2c1[nH][nH]c2=O 271570a_100011290941_100012199144 [0,1,0,0,1,0|1,0,1]=4 3536 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,1,0,0,1,0|0,0,0]=2 3537 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,1,0,0,1,0|0,0,0]=2 3538 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,1,0,0,1,0|0,0,0]=2 3539 B13R2.573 COc1cccc2c1CC[C@@H]2N 34a_100134616730_200000210301 [0,1,0,0,1,0|1,0,1]=4 3540 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,1,0,0,1,0|0,0,0]=2 3541 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [0,1,0,0,1,0|0,0,0]=2 3542 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [0,1,0,0,1,0|0,0,0]=2 3543 B13R2.573 CSc1cccc2c1CCC2N 62a_100000751068_200000210301 [0,1,0,0,1,0|1,0,1]=4 3544 B13R2.573 CSc1cccc2c1CCC2N 62a_200000210301_100000751068 [0,1,0,0,1,0|1,0,1]=4 3545 B13R2.573 CSc1cccc2c1CC[C@@H]2O 62a_100010080924_200000210301 [0,1,0,0,1,0|0,0,2]=4 3546 B13R2.573 CSc1cccc2c1CC[C@@H]2O 62a_200000210301_100010080924 [0,1,0,0,1,0|0,0,2]=4 3547 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [0,1,0,0,1,0|0,0,0]=2 3548 B13R2.573 CSc1cccc2c1COC2=O 62a_100010167076_200000210301 [0,1,0,0,1,0|1,0,0]=3 3549 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,1,0,0,1,0|1,0,0]=3 3550 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,1,0,0,1,0|0,0,0]=2 3551 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,1,0,0,1,0|0,0,0]=2 3552 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,1,0,0,1,0|0,0,0]=2 3553 B13R2.573 [13CH3]Oc1cccc2c1CC[C@@H]2N 34a_100134616730_200025704644 [0,1,0,0,1,0|1,0,1]=4 3554 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,1,0,0,1,0|0,0,0]=2 3555 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [0,1,0,0,1,0|0,0,0]=2 3556 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [0,1,0,0,1,0|0,0,0]=2 3557 B13R2.573 [13CH3]Sc1cccc2c1CCC2N 62a_100000751068_200025704644 [0,1,0,0,1,0|1,0,1]=4 3558 B13R2.573 [13CH3]Sc1cccc2c1CCC2N 62a_200025704644_100000751068 [0,1,0,0,1,0|1,0,1]=4 3559 B13R2.573 [13CH3]Sc1cccc2c1CC[C@@H]2O 62a_100010080924_200025704644 [0,1,0,0,1,0|0,0,2]=4 3560 B13R2.573 [13CH3]Sc1cccc2c1CC[C@@H]2O 62a_200025704644_100010080924 [0,1,0,0,1,0|0,0,2]=4 3561 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [0,1,0,0,1,0|0,0,0]=2 3562 B13R2.573 [13CH3]Sc1cccc2c1COC2=O 62a_100010167076_200025704644 [0,1,0,0,1,0|1,0,0]=3 3563 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,1,0,0,1,0|1,0,0]=3 3564 B13R2.3742 Cc1cc(c2c(c1)C(=O)CC2)O 271570a_203496583355_200012347971 [0,1,0,0,1,0|1,0,0]=3 3565 B13R2.3742 Cc1cc(cc2c1CCC2=O)O 271570a_203496583355_200010133532 [0,1,0,0,1,0|0,0,0]=2 3566 B13R2.3742 O=C1CCc2c1cc(cc2F)O 271570a_203496583355_100000751134 [0,1,0,0,1,0|1,0,0]=3 3567 B13R2.3742 O=C1CCc2c1cc(cc2O)F 271570a_203496583355_100012355282 [0,1,0,0,1,0|1,0,0]=3 3568 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,0,1,0|1,0,0]=3 3569 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,0,1,0|1,0,0]=3 3570 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,0,1,0|1,0,1]=4 3571 B13R2.5151 Cc1ccc(c2c1C(=O)CC2)O 271570a_203496583355_100010091368 [0,1,0,0,1,0|1,0,0]=3 3572 B13R2.5151 O=C1CCc2c1c(ccc2F)O 271570a_203496583355_100000694073 [0,1,0,0,1,0|1,0,0]=3 3573 B13R2.5151 O=C1CCc2c1c(ccc2O)F 271570a_203496583355_100012347972 [0,1,0,0,1,0|1,0,0]=3 3574 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_100009816527 [0,1,0,0,1,0|1,0,0]=3 3575 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_200010133748 [0,1,0,0,1,0|1,0,0]=3 3576 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [0,1,0,0,1,0|0,0,0]=2 3577 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [0,1,0,0,1,0|1,0,0]=3 3578 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [0,1,0,0,1,0|1,0,0]=3 3579 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [0,1,0,0,1,0|1,0,0]=3 3580 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [0,1,0,0,1,0|1,0,0]=3 3581 B15R2.20806 C=Cc1cccc2c1CCCC(=O)N2 271570a_100011290941_200000700058 [0,1,0,0,0,1|1,0,1]=4 3582 B15R2.20806 CSc1cccc2c1CCCC(=O)N2 62a_200000210301_200000700058 [0,1,0,0,0,1|1,0,0]=3 3583 B15R2.20806 CSc1cccc2c1CCCC(=O)N2 62a_200000700058_200000210301 [0,1,0,0,0,1|1,0,0]=3 3584 B15R2.20806 [13CH3]Sc1cccc2c1CCCC(=O)N2 62a_200000700058_200025704644 [0,1,0,0,0,1|1,0,0]=3 3585 B15R2.20806 [13CH3]Sc1cccc2c1CCCC(=O)N2 62a_200025704644_200000700058 [0,1,0,0,0,1|1,0,0]=3 3586 B15R2.800 C=C=Cc1cccc2c1CCCC2=O 271570a_100015277604_100000691372 [0,2,0,0,0,0|1,0,1]=4 3587 B15R2.800 C=C=Cc1cccc2c1CCNC2=O 271570a_100015277604_100000695023 [0,2,0,0,0,0|0,0,1]=3 3588 B15R2.800 CC=Cc1cccc2c1CCCC2=O 271570a_100016259895_100000691372 [0,2,0,0,0,0|1,0,0]=3 3589 B15R2.800 CC=Cc1cccc2c1CCNC2=O 271570a_100016259895_100000695023 [0,2,0,0,0,0|0,0,0]=2 3590 B15R2.800 CC=Cc1cccc2c1NCCC2=O 271570a_100016259895_115082355814 [0,2,0,0,0,0|2,0,0]=4 3591 B15R2.800 CC=Cc1cccc2c1OCCC2=O 271570a_100016259895_100000744318 [0,2,0,0,0,0|2,0,0]=4 3592 B15R2.800 CC=Cc1cccc2c1SCCC2=O 271570a_100016259895_100011271337 [0,2,0,0,0,0|2,0,0]=4 3593 B15R2.800 CC=Cc1cccc2c1cc[nH]c2=O 271570a_100016259895_100000703947 [0,2,0,0,0,0|0,0,2]=4 3594 B15R2.800 CC=Cc1cncc2c1CCCC2=O 271570a_100016259895_100010870523 [0,2,0,0,0,0|2,0,0]=4 3595 B15R2.800 CCNc1cccc2c1nc[nH]c2=O 27a_100015525214_100000741247 [0,2,0,0,0,0|1,0,1]=4 3596 B15R2.800 CCOc1cccc2c1CCCC2=O 34a_100000763485_100000210202 [0,2,0,0,0,0|1,0,0]=3 3597 B15R2.800 CCOc1cccc2c1CCCC2=O 7a_100000763485_100000210202 [0,2,0,0,0,0|1,0,0]=3 3598 B15R2.800 CCOc1cccc2c1CCNC2=O 34a_100000079299_100000210202 [0,2,0,0,0,0|0,0,0]=2 3599 B15R2.800 CCOc1cccc2c1CCNC2=O 7a_100000079299_100000210202 [0,2,0,0,0,0|0,0,0]=2 3600 B15R2.800 CCOc1cccc2c1OCCC2=O 34a_100009867664_100000210202 [0,2,0,0,0,0|2,0,0]=4 3601 B15R2.800 CCOc1cccc2c1OCCC2=O 7a_100009867664_100000210202 [0,2,0,0,0,0|2,0,0]=4 3602 B15R2.800 CCSc1cccc2c1CCCC2=O 62a_100000210202_100000691372 [0,2,0,0,0,0|1,0,0]=3 3603 B15R2.800 CCSc1cccc2c1CCCC2=O 62a_100000691372_100000210202 [0,2,0,0,0,0|1,0,0]=3 3604 B15R2.800 CCSc1cccc2c1CCNC2=O 62a_100000210202_100000695023 [0,2,0,0,0,0|0,0,0]=2 3605 B15R2.800 CCSc1cccc2c1CCNC2=O 62a_100000695023_100000210202 [0,2,0,0,0,0|0,0,0]=2 3606 B15R2.800 CCSc1cccc2c1NCCC2=O 62a_100000210202_115082355814 [0,2,0,0,0,0|2,0,0]=4 3607 B15R2.800 CCSc1cccc2c1NCCC2=O 62a_115082355814_100000210202 [0,2,0,0,0,0|2,0,0]=4 3608 B15R2.800 CCSc1cccc2c1OCCC2=O 62a_100000210202_100000744318 [0,2,0,0,0,0|2,0,0]=4 3609 B15R2.800 CCSc1cccc2c1OCCC2=O 62a_100000744318_100000210202 [0,2,0,0,0,0|2,0,0]=4 3610 B15R2.800 CCSc1cccc2c1SCCC2=O 62a_100000210202_100011271337 [0,2,0,0,0,0|2,0,0]=4 3611 B15R2.800 CCSc1cccc2c1SCCC2=O 62a_100011271337_100000210202 [0,2,0,0,0,0|2,0,0]=4 3612 B15R2.800 CCSc1cccc2c1cc[nH]c2=O 62a_100000210202_100000703947 [0,2,0,0,0,0|0,0,2]=4 3613 B15R2.800 CCSc1cncc2c1CCCC2=O 62a_100000210202_100010870523 [0,2,0,0,0,0|2,0,0]=4 3614 B15R2.800 CCSc1cncc2c1CCCC2=O 62a_100010870523_100000210202 [0,2,0,0,0,0|2,0,0]=4 3615 B15R2.800 O=C1CCCc2c1cccc2OCF 34a_100000763485_100015361967 [0,2,0,0,0,0|1,0,0]=3 3616 B15R2.800 O=C1CCCc2c1cccc2OCF 7a_100000763485_100015361967 [0,2,0,0,0,0|1,0,0]=3 3617 B15R2.800 O=C1CCCc2c1cccc2SCF 62a_100000691372_100015361967 [0,2,0,0,0,0|1,0,0]=3 3618 B15R2.800 O=C1CCCc2c1cccc2SCF 62a_100015361967_100000691372 [0,2,0,0,0,0|1,0,0]=3 3619 B15R2.800 O=C1CCCc2c1cncc2SCF 62a_100010870523_100015361967 [0,2,0,0,0,0|2,0,0]=4 3620 B15R2.800 O=C1CCCc2c1cncc2SCF 62a_100015361967_100010870523 [0,2,0,0,0,0|2,0,0]=4 3621 B15R2.800 O=C1CCNc2c1cccc2SCF 62a_100015361967_115082355814 [0,2,0,0,0,0|2,0,0]=4 3622 B15R2.800 O=C1CCNc2c1cccc2SCF 62a_115082355814_100015361967 [0,2,0,0,0,0|2,0,0]=4 3623 B15R2.800 O=C1CCOc2c1cccc2OCF 34a_100009867664_100015361967 [0,2,0,0,0,0|2,0,0]=4 3624 B15R2.800 O=C1CCOc2c1cccc2OCF 7a_100009867664_100015361967 [0,2,0,0,0,0|2,0,0]=4 3625 B15R2.800 O=C1CCOc2c1cccc2SCF 62a_100000744318_100015361967 [0,2,0,0,0,0|2,0,0]=4 3626 B15R2.800 O=C1CCOc2c1cccc2SCF 62a_100015361967_100000744318 [0,2,0,0,0,0|2,0,0]=4 3627 B15R2.800 O=C1CCSc2c1cccc2SCF 62a_100011271337_100015361967 [0,2,0,0,0,0|2,0,0]=4 3628 B15R2.800 O=C1CCSc2c1cccc2SCF 62a_100015361967_100011271337 [0,2,0,0,0,0|2,0,0]=4 3629 B15R2.800 O=C1NCCc2c1cccc2OCF 34a_100000079299_100015361967 [0,2,0,0,0,0|0,0,0]=2 3630 B15R2.800 O=C1NCCc2c1cccc2OCF 7a_100000079299_100015361967 [0,2,0,0,0,0|0,0,0]=2 3631 B15R2.800 O=C1NCCc2c1cccc2SCF 62a_100000695023_100015361967 [0,2,0,0,0,0|0,0,0]=2 3632 B15R2.800 O=C1NCCc2c1cccc2SCF 62a_100015361967_100000695023 [0,2,0,0,0,0|0,0,0]=2 3633 B15R2.800 O=c1[nH]ccc2c1cccc2SCF 62a_100015361967_100000703947 [0,2,0,0,0,0|0,0,2]=4 3634 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 34a_100009872817_200000210301 [0,2,0,0,0,0|1,0,0]=3 3635 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 7a_100009872817_200000210301 [0,2,0,0,0,0|1,0,0]=3 3636 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 34a_100009872817_200025704644 [0,2,0,0,0,0|1,0,0]=3 3637 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 7a_100009872817_200025704644 [0,2,0,0,0,0|1,0,0]=3 3638 B15R2.13611 C=C(C)c1cccc2c1CCCC2=O 271570a_100000694244_100000691372 [0,2,0,0,0,0|1,0,0]=3 3639 B15R2.13611 C=C(C)c1cccc2c1CCNC2=O 271570a_100000694244_100000695023 [0,2,0,0,0,0|0,0,0]=2 3640 B15R2.13611 C=C(C)c1cccc2c1NCCC2=O 271570a_100000694244_115082355814 [0,2,0,0,0,0|2,0,0]=4 3641 B15R2.13611 C=C(C)c1cccc2c1OCCC2=O 271570a_100000694244_100000744318 [0,2,0,0,0,0|2,0,0]=4 3642 B15R2.13611 C=C(C)c1cccc2c1SCCC2=O 271570a_100000694244_100011271337 [0,2,0,0,0,0|2,0,0]=4 3643 B15R2.13611 C=C(C)c1cccc2c1cc[nH]c2=O 271570a_100000694244_100000703947 [0,2,0,0,0,0|0,0,2]=4 3644 B15R2.13611 C=C(C)c1cncc2c1CCCC2=O 271570a_100000694244_100010870523 [0,2,0,0,0,0|2,0,0]=4 3645 B15R2.13611 CC(=O)c1cccc2c1cc[nH]c2=O 1458a_100009849167_200000210301 [0,2,0,0,0,0|0,0,2]=4 3646 B15R2.13611 CC(=O)c1cccc2c1nc[nH]c2=O 1458a_100000099146_200000210301 [0,2,0,0,0,0|1,0,1]=4 3647 B15R2.13611 CN(C)c1cccc2c1nc[nH]c2=O 27a_100102631434_100000741247 [0,2,0,0,0,0|1,0,1]=4 3648 B15R2.13611 [13CH3]C(=O)c1cccc2c1cc[nH]c2=O 1458a_100009849167_200025704644 [0,2,0,0,0,0|0,0,2]=4 3649 B15R2.13611 [13CH3]C(=O)c1cccc2c1nc[nH]c2=O 1458a_100000099146_200025704644 [0,2,0,0,0,0|1,0,1]=4 3650 B15R2.20926 C=Cc1cccc2c1CCN(C2=O)C 271570a_100011290941_100010269134 [0,2,0,0,0,0|0,0,1]=3 3651 B15R2.20926 CN1CCc2c(cccc2C1=O)S[13CH3] 62a_100010269134_200025704644 [0,2,0,0,0,0|0,0,0]=2 3652 B15R2.20926 CN1CCc2c(cccc2C1=O)S[13CH3] 62a_200025704644_100010269134 [0,2,0,0,0,0|0,0,0]=2 3653 B15R2.20926 CSc1cccc2c1CCN(C2=O)C 62a_100010269134_200000210301 [0,2,0,0,0,0|0,0,0]=2 3654 B15R2.20926 CSc1cccc2c1CCN(C2=O)C 62a_200000210301_100010269134 [0,2,0,0,0,0|0,0,0]=2 3655 B15R2.20937 COc1cccc2c1cc([nH]c2=O)O 271570a_203496583355_200010523595 [0,2,0,0,0,0|0,0,2]=4 3656 B15R2.22238 C=Cc1ccc(c2c1CCCC2=O)F 271570a_100011290941_100010133564 [0,2,0,0,0,0|1,0,1]=4 3657 B15R2.22238 CSc1ccc(c2c1CCCC2=O)F 62a_100010133564_200000210301 [0,2,0,0,0,0|1,0,0]=3 3658 B15R2.22238 CSc1ccc(c2c1CCCC2=O)F 62a_200000210301_100010133564 [0,2,0,0,0,0|1,0,0]=3 3659 B15R2.22238 CSc1ccc(c2c1OCCC2=O)F 62a_100012360490_200000210301 [0,2,0,0,0,0|2,0,0]=4 3660 B15R2.22238 CSc1ccc(c2c1OCCC2=O)F 62a_200000210301_100012360490 [0,2,0,0,0,0|2,0,0]=4 3661 B15R2.22238 [13CH3]Sc1ccc(c2c1CCCC2=O)F 62a_100010133564_200025704644 [0,2,0,0,0,0|1,0,0]=3 3662 B15R2.22238 [13CH3]Sc1ccc(c2c1CCCC2=O)F 62a_200025704644_100010133564 [0,2,0,0,0,0|1,0,0]=3 3663 B15R2.22238 [13CH3]Sc1ccc(c2c1OCCC2=O)F 62a_100012360490_200025704644 [0,2,0,0,0,0|2,0,0]=4 3664 B15R2.22238 [13CH3]Sc1ccc(c2c1OCCC2=O)F 62a_200025704644_100012360490 [0,2,0,0,0,0|2,0,0]=4 3665 B15R2.22677 COc1cc(cc2c1nc[nH]c2=O)O 271570a_203496583355_200016034609 [0,2,0,0,0,0|1,0,1]=4 3666 B15R2.22677 CSc1cc(cc2c1OCCC2=O)F 62a_100011265747_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B15R2.22677 CSc1cc(cc2c1OCCC2=O)F 62a_200000210301_100011265747 [0,2,0,0,0,0|2,0,0]=4 3668 B15R2.22677 [13CH3]Sc1cc(cc2c1OCCC2=O)F 62a_100011265747_200025704644 [0,2,0,0,0,0|2,0,0]=4 3669 B15R2.22677 [13CH3]Sc1cc(cc2c1OCCC2=O)F 62a_200025704644_100011265747 [0,2,0,0,0,0|2,0,0]=4 3670 B15R2.22378 COc1ccc2c(c1C)OCCC2=O 34a_100000113194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3671 B15R2.22378 COc1ccc2c(c1C)OCCC2=O 7a_100000113194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3672 B15R2.22378 Cc1c(ccc2c1OCCC2=O)O[13CH3] 34a_100000113194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3673 B15R2.22378 Cc1c(ccc2c1OCCC2=O)O[13CH3] 7a_100000113194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3674 B15R2.2743 C=Cc1cc(c2c(c1)C(=O)CCC2)F 271570a_100011290941_100010133405 [0,2,0,0,0,0|2,0,0]=4 3675 B15R2.2743 C=Cc1cc(c2c(c1)C(=O)CCO2)C 271570a_100011290941_200011825875 [0,2,0,0,0,0|2,0,0]=4 3676 B15R2.2743 C=Cc1cc(c2c(c1)C(=O)NCC2)F 271570a_100011290941_100000698053 [0,2,0,0,0,0|1,0,0]=3 3677 B15R2.2743 CSc1cc(c2c(c1)C(=O)CCC2)F 62a_100010133405_200000210301 [0,2,0,0,0,0|2,0,0]=4 3678 B15R2.2743 CSc1cc(c2c(c1)C(=O)CCC2)F 62a_200000210301_100010133405 [0,2,0,0,0,0|2,0,0]=4 3679 B15R2.2743 CSc1cc(c2c(c1)C(=O)CCO2)C 62a_200000210301_200011825875 [0,2,0,0,0,0|2,0,0]=4 3680 B15R2.2743 CSc1cc(c2c(c1)C(=O)CCO2)C 62a_200011825875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3681 B15R2.2743 CSc1cc(c2c(c1)C(=O)NCC2)F 62a_100000698053_200000210301 [0,2,0,0,0,0|1,0,0]=3 3682 B15R2.2743 CSc1cc(c2c(c1)C(=O)NCC2)F 62a_200000210301_100000698053 [0,2,0,0,0,0|1,0,0]=3 3683 B15R2.2743 Cc1cc(cc2c1OCCC2=O)S[13CH3] 62a_200011825875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3684 B15R2.2743 Cc1cc(cc2c1OCCC2=O)S[13CH3] 62a_200025704644_200011825875 [0,2,0,0,0,0|2,0,0]=4 3685 B15R2.2743 [13CH3]Sc1cc(c2c(c1)C(=O)CCC2)F 62a_100010133405_200025704644 [0,2,0,0,0,0|2,0,0]=4 3686 B15R2.2743 [13CH3]Sc1cc(c2c(c1)C(=O)CCC2)F 62a_200025704644_100010133405 [0,2,0,0,0,0|2,0,0]=4 3687 B15R2.2743 [13CH3]Sc1cc(c2c(c1)C(=O)NCC2)F 62a_100000698053_200025704644 [0,2,0,0,0,0|1,0,0]=3 3688 B15R2.2743 [13CH3]Sc1cc(c2c(c1)C(=O)NCC2)F 62a_200025704644_100000698053 [0,2,0,0,0,0|1,0,0]=3 3689 B15R2.13627 Cc1cc(c(c2c1CCCC2=O)C)O 271570a_203496583355_200012024301 [0,2,0,0,0,0|1,0,0]=3 3690 B11R0.106 C=CC(=O)NCCNC(=O)C=C 1626a_114873766552_100000185746 [0,0,2,0,0,0|2,0,0]=4 3691 B11R0.81 C=CC=CC(=O)NCCCC=C 1626a_100000700776_100016291481 [0,0,2,0,0,0|0,0,2]=4 3692 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,0,2,0,0,0|0,0,2]=4 3693 B11R0.81 C=CC=CC(=O)NCCCOC 1626a_100150723488_100016291481 [0,0,2,0,0,0|1,0,1]=4 3694 B11R0.81 C=CC=CC(=O)NCCCSC 1626a_100000749238_100016291481 [0,0,2,0,0,0|1,0,1]=4 3695 B11R0.81 C=CC=CC(=O)NCCOCC 1626a_102516460346_100016291481 [0,0,2,0,0,0|1,0,1]=4 3696 B11R0.81 C=CC=CC(=O)NCCSCC 1626a_100000106463_100016291481 [0,0,2,0,0,0|1,0,1]=4 3697 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,0,1,1,0,0|2,0,0]=4 3698 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,1,1,0,0|2,0,0]=4 3699 B13R2.13 O=C1C=C(CCC1)c2cccs2 271570a_100000723966_100011215356 [0,0,1,1,0,0|2,0,0]=4 3700 B13R2.5324 C=C(c1cccc(c1)C)C2CC2 271570a_100010895485_100011215228 [0,0,1,1,0,0|2,0,0]=4 3701 B13R2.5569 C=C(C)c1cccc2c1CCC2 271570a_100000694244_100010343934 [0,0,1,1,0,0|2,0,0]=4 3702 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,0,1,1,0,0|1,0,0]=3 3703 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,0,1,1,0,0|2,0,0]=4 3704 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,0,1,1,0,0|1,0,0]=3 3705 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,0,1,1,0,0|2,0,0]=4 3706 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,0,1,1,0,0|1,0,1]=4 3707 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,0,1,1,0,0|1,0,1]=4 3708 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,0,1,1,0,0|1,0,1]=4 3709 B13R2.26 O=CCN1Cc2ccccc2C1 2230a_100000752595_200015260668 [0,0,1,1,0,0|2,0,0]=4 3710 B13R2.26 O=CCN1Cc2ccccc2C1 269982a_100000752595_200015260668 [0,0,1,1,0,0|2,0,0]=4 3711 B13R2.26 O=CCN1Cc2ccccc2C1 34a_100000752595_200009817547 [0,0,1,1,0,0|2,0,0]=4 3712 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,0,1,1,0,0|1,0,1]=4 3713 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,0,1,1,0,0|1,0,1]=4 3714 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,0,1,1,0,0|1,0,1]=4 3715 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,0,1,1,0,0|1,0,1]=4 3716 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,0,1,1,0,0|1,0,1]=4 3717 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_100009813401_200015260668 [0,0,1,1,0,0|2,0,0]=4 3718 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_200015260668_100009813401 [0,0,1,1,0,0|2,0,0]=4 3719 B13R2.581 C=Cc1cccc2c1CC(C2)O 271570a_100011290941_100010752598 [0,0,1,1,0,0|2,0,0]=4 3720 B13R2.644 O=Cc1cccc(c1C2CC2)F 271570a_100011220607_100011998484 [0,0,1,1,0,0|2,0,0]=4 3721 B13R2.644 O=Cc1cccc(c1C2CC2)O 271570a_100011220607_100009816417 [0,0,1,1,0,0|2,0,0]=4 3722 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,0,1,0,1,0|2,0,0]=4 3723 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,0,1,0|1,0,1]=4 3724 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [1,0,0,0,1,0|1,0,1]=4 3725 B11R2.106 Oc1cccc2c1CCN2 271570a_203496583355_100009817896 [1,0,0,0,1,0|1,0,0]=3 3726 B11R2.106 Oc1cccc2c1CCO2 271570a_203496583355_100009819624 [1,0,0,0,1,0|2,0,0]=4 3727 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,0,1,0|1,0,1]=4 3728 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [1,0,0,0,1,0|2,0,0]=4 3729 B13R1.20 CC#CC(=O)Cc1cccc(c1)C 1458a_100000763181_100000211840 [0,0,1,0,0,1|1,0,1]=4 3730 B13R1.20 CC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100000763181 [0,0,1,0,0,1|1,0,1]=4 3731 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,0,1,0,0,1|1,0,1]=4 3732 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,0,1,0,0,1|1,0,1]=4 3733 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,0,1,0,0,1|1,0,1]=4 3734 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,0,1,0,0,1|1,0,1]=4 3735 B13R1.20 CCCC(=O)Cc1cc(ccn1)C 1458a_100000211992_100000718516 [0,0,1,0,0,1|2,0,0]=4 3736 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,0,1,0,0,1|2,0,0]=4 3737 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,0,1,0,0,1|2,0,0]=4 3738 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,0,1,0,0,1|1,0,0]=3 3739 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,0,1,0,0,1|1,0,0]=3 3740 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,0,1,0,0,1|2,0,0]=4 3741 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,0,1,0,0,1|2,0,0]=4 3742 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,0,1,0,0,1|2,0,0]=4 3743 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,0,1,0,0,1|2,0,0]=4 3744 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,0,1,0,0,1|2,0,0]=4 3745 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,0,1,0,0,1|2,0,0]=4 3746 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,0,1,0,0,1|2,0,0]=4 3747 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,0,1,0,0,1|2,0,0]=4 3748 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100000211992_100000757606 [0,0,1,0,0,1|2,0,0]=4 3749 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210303 [0,0,1,0,0,1|2,0,0]=4 3750 B13R1.20 CCCC(=O)Cc1ccnc(c1)C 1458a_100000211992_200020672517 [0,0,1,0,0,1|2,0,0]=4 3751 B13R1.20 CCCC(=O)Cc1cncc(c1)C 1458a_100000211992_100000716715 [0,0,1,0,0,1|2,0,0]=4 3752 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211992 [0,0,1,0,0,1|2,0,0]=4 3753 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211992 [0,0,1,0,0,1|2,0,0]=4 3754 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211992 [0,0,1,0,0,1|2,0,0]=4 3755 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211992 [0,0,1,0,0,1|2,0,0]=4 3756 B13R1.20 CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211992 [0,0,1,0,0,1|1,0,0]=3 3757 B13R1.20 CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211992 [0,0,1,0,0,1|1,0,0]=3 3758 B13R1.20 CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211992 [0,0,1,0,0,1|1,0,0]=3 3759 B13R1.20 CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211992 [0,0,1,0,0,1|1,0,0]=3 3760 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211992 [0,0,1,0,0,1|2,0,0]=4 3761 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211992 [0,0,1,0,0,1|2,0,0]=4 3762 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211992 [0,0,1,0,0,1|2,0,0]=4 3763 B13R1.20 CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211992 [0,0,1,0,0,1|2,0,0]=4 3764 B13R1.20 CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211992 [0,0,1,0,0,1|2,0,0]=4 3765 B13R1.20 CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211992 [0,0,1,0,0,1|2,0,0]=4 3766 B13R1.20 CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211992 [0,0,1,0,0,1|2,0,0]=4 3767 B13R1.20 CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211992 [0,0,1,0,0,1|2,0,0]=4 3768 B13R1.20 CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211992 [0,0,1,0,0,1|2,0,0]=4 3769 B13R1.20 CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211992 [0,0,1,0,0,1|2,0,0]=4 3770 B13R1.20 CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211992 [0,0,1,0,0,1|2,0,0]=4 3771 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,0,1,0,0,1|2,0,0]=4 3772 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,0,1,0,0,1|2,0,0]=4 3773 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,0,1,0,0,1|2,0,0]=4 3774 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,0,1,0,0,1|1,0,0]=3 3775 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,0,1,0,0,1|1,0,0]=3 3776 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,0,1,0,0,1|1,0,0]=3 3777 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,0,1,0,0,1|0,0,0]=2 3778 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,0,1,0,0,1|0,0,0]=2 3779 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,0,1,0,0,1|0,0,0]=2 3780 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,0,1,0,0,1|1,0,0]=3 3781 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,0,1,0,0,1|1,0,0]=3 3782 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,0,1,0,0,1|1,0,0]=3 3783 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,0,1,0,0,1|1,0,0]=3 3784 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,0,1,0,0,1|1,0,0]=3 3785 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,0,1,0,0,1|1,0,0]=3 3786 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,0,1,0,0,1|1,0,0]=3 3787 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,0,1,0,0,1|1,0,0]=3 3788 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,0,1,0,0,1|1,0,0]=3 3789 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,0,1,0,0,1|1,0,0]=3 3790 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,0,1,0,0,1|1,0,0]=3 3791 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 11a_100015525214_100010201708 [0,0,1,0,0,1|2,0,0]=4 3792 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 240690a_100015525214_100010201708 [0,0,1,0,0,1|2,0,0]=4 3793 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 527a_100015525214_100010201708 [0,0,1,0,0,1|2,0,0]=4 3794 B13R1.20 CCNC(=O)Cc1cccc(n1)C 11a_100015525214_100012001110 [0,0,1,0,0,1|1,0,0]=3 3795 B13R1.20 CCNC(=O)Cc1cccc(n1)C 240690a_100015525214_100012001110 [0,0,1,0,0,1|1,0,0]=3 3796 B13R1.20 CCNC(=O)Cc1cccc(n1)C 527a_100015525214_100012001110 [0,0,1,0,0,1|1,0,0]=3 3797 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 11a_100015525214_100000090259 [0,0,1,0,0,1|2,0,0]=4 3798 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 240690a_100015525214_100000090259 [0,0,1,0,0,1|2,0,0]=4 3799 B13R1.20 CCNC(=O)Cc1cccc(n1)F 11a_100015525214_100000096803 [0,0,1,0,0,1|2,0,0]=4 3800 B13R1.20 CCNC(=O)Cc1cccc(n1)F 240690a_100015525214_100000096803 [0,0,1,0,0,1|2,0,0]=4 3801 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 11a_100015525214_100010126891 [0,0,1,0,0,1|2,0,0]=4 3802 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 240690a_100015525214_100010126891 [0,0,1,0,0,1|2,0,0]=4 3803 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 527a_100015525214_100010126891 [0,0,1,0,0,1|2,0,0]=4 3804 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 11a_100015525214_100000085289 [0,0,1,0,0,1|2,0,0]=4 3805 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 240690a_100015525214_100000085289 [0,0,1,0,0,1|2,0,0]=4 3806 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 527a_100015525214_100000085289 [0,0,1,0,0,1|2,0,0]=4 3807 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 11a_100015525214_100000239331 [0,0,1,0,0,1|2,0,0]=4 3808 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 240690a_100015525214_100000239331 [0,0,1,0,0,1|2,0,0]=4 3809 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 527a_100015525214_100000239331 [0,0,1,0,0,1|2,0,0]=4 3810 B13R1.20 CCNC(=O)Cc1cncc(c1)F 11a_100015525214_100011667516 [0,0,1,0,0,1|2,0,0]=4 3811 B13R1.20 CCNC(=O)Cc1cncc(c1)F 240690a_100015525214_100011667516 [0,0,1,0,0,1|2,0,0]=4 3812 B13R1.20 CCNC(=O)Cc1cncc(c1)F 527a_100015525214_100011667516 [0,0,1,0,0,1|2,0,0]=4 3813 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100015525214 [0,0,1,0,0,1|1,0,0]=3 3814 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100015525214 [0,0,1,0,0,1|1,0,0]=3 3815 B13R1.20 CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100015525214 [0,0,1,0,0,1|0,0,0]=2 3816 B13R1.20 CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100015525214 [0,0,1,0,0,1|0,0,0]=2 3817 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100015525214 [0,0,1,0,0,1|1,0,0]=3 3818 B13R1.20 CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100015525214 [0,0,1,0,0,1|1,0,0]=3 3819 B13R1.20 CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100015525214 [0,0,1,0,0,1|1,0,0]=3 3820 B13R1.20 CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100015525214 [0,0,1,0,0,1|1,0,0]=3 3821 B13R1.20 CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100015525214 [0,0,1,0,0,1|1,0,0]=3 3822 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [0,0,1,0,0,1|1,0,0]=3 3823 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [0,0,1,0,0,1|1,0,0]=3 3824 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [0,0,1,0,0,1|2,0,0]=4 3825 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,0,1,0,0,1|2,0,0]=4 3826 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,0,1,0,0,1|2,0,0]=4 3827 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,0,1,0,0,1|2,0,0]=4 3828 B13R1.20 CNNC(=O)Cc1cccc(c1)Br 22a_100016993582_100000747190 [0,0,1,0,0,1|2,0,0]=4 3829 B13R1.20 CNNC(=O)Cc1cccc(c1)C 22a_100016993582_100011206899 [0,0,1,0,0,1|1,0,0]=3 3830 B13R1.20 CNNC(=O)Cc1cccc(c1)Cl 22a_100016993582_100000749307 [0,0,1,0,0,1|2,0,0]=4 3831 B13R1.20 CNNC(=O)Cc1cccc(c1)F 22a_100016993582_100000211661 [0,0,1,0,0,1|2,0,0]=4 3832 B13R1.20 CNNC(=O)Cc1cccc(c1)I 22a_100016993582_100000238430 [0,0,1,0,0,1|2,0,0]=4 3833 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,0,1,0,0,1|2,0,0]=4 3834 B13R1.20 CNNC(=O)Cc1cccc(n1)C 22a_100016993582_100012001110 [0,0,1,0,0,1|2,0,0]=4 3835 B13R1.20 CNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100016993582 [0,0,1,0,0,1|2,0,0]=4 3836 B13R1.20 CNNC(=O)Nc1cccc(c1)C 512a_100000188690_100016993582 [0,0,1,0,0,1|1,0,0]=3 3837 B13R1.20 CNNC(=O)Nc1cccc(c1)F 512a_100000210047_100016993582 [0,0,1,0,0,1|2,0,0]=4 3838 B13R1.20 CNNC(=O)Nc1cccc(c1)I 512a_100000211102_100016993582 [0,0,1,0,0,1|2,0,0]=4 3839 B13R1.20 CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100016993582 [0,0,1,0,0,1|2,0,0]=4 3840 B13R1.20 COCC(=O)Cc1cccc(c1)C 1458a_100000210968_100000211840 [0,0,1,0,0,1|2,0,0]=4 3841 B13R1.20 COCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210968 [0,0,1,0,0,1|2,0,0]=4 3842 B13R1.20 COCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210968 [0,0,1,0,0,1|2,0,0]=4 3843 B13R1.20 COCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210968 [0,0,1,0,0,1|2,0,0]=4 3844 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100000749660_200000210301 [0,0,1,0,0,1|2,0,0]=4 3845 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100138415774_100000182861 [0,0,1,0,0,1|2,0,0]=4 3846 B13R1.20 COCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210968 [0,0,1,0,0,1|2,0,0]=4 3847 B13R1.20 CSCC(=O)Cc1cccc(c1)C 1458a_100000184570_100000211840 [0,0,1,0,0,1|2,0,0]=4 3848 B13R1.20 CSCC(=O)Nc1cccc(c1)C 11a_100000188690_100000184570 [0,0,1,0,0,1|2,0,0]=4 3849 B13R1.20 CSCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000184570 [0,0,1,0,0,1|2,0,0]=4 3850 B13R1.20 CSCC(=O)Nc1cccc(c1)C 22a_100000188690_100000184570 [0,0,1,0,0,1|2,0,0]=4 3851 B13R1.20 CSCC(=O)Nc1cccc(c1)C 527a_100000188690_100000184570 [0,0,1,0,0,1|2,0,0]=4 3852 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_100000243722_200000210301 [0,0,1,0,0,1|2,0,0]=4 3853 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_200000210301_100000182861 [0,0,1,0,0,1|2,0,0]=4 3854 B13R1.20 Cc1cccc(c1)CC(=O)CCF 1458a_100011206899_100011217306 [0,0,1,0,0,1|2,0,0]=4 3855 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,0,1,0,0,1|2,0,0]=4 3856 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,0,1,0,0,1|2,0,0]=4 3857 B13R1.20 Cc1cccc(c1)NC(=O)CCO 22a_100000188690_100011216618 [0,0,1,0,0,1|2,0,0]=4 3858 B13R1.20 Cc1cccc(c1)NC(=O)CO[13CH3] 34a_100000749660_200025704644 [0,0,1,0,0,1|2,0,0]=4 3859 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_100000243722_200025704644 [0,0,1,0,0,1|2,0,0]=4 3860 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_200025704644_100000182861 [0,0,1,0,0,1|2,0,0]=4 3861 B13R1.40 C#CC(=O)Cc1cccc(c1C)C 1458a_100000211873_100011515928 [0,0,1,0,0,1|1,0,1]=4 3862 B13R1.40 C=CC(=O)Cc1cccc(c1C)C 1458a_100000185746_100011515928 [0,0,1,0,0,1|1,0,1]=4 3863 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000185746 [0,0,1,0,0,1|1,0,1]=4 3864 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000185746 [0,0,1,0,0,1|1,0,1]=4 3865 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100000210414_200012349612 [0,0,1,0,0,1|2,0,0]=4 3866 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100010147021_100000210202 [0,0,1,0,0,1|2,0,0]=4 3867 B13R1.40 CCC(=O)Cc1cccc(c1C)Br 1458a_100000210414_100000694682 [0,0,1,0,0,1|2,0,0]=4 3868 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100000210414_100011515928 [0,0,1,0,0,1|1,0,0]=3 3869 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100011698479_100000210202 [0,0,1,0,0,1|1,0,0]=3 3870 B13R1.40 CCC(=O)Cc1cccc(c1C)Cl 1458a_100000210414_100012186920 [0,0,1,0,0,1|2,0,0]=4 3871 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000035905_100000210202 [0,0,1,0,0,1|2,0,0]=4 3872 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000210414_100009813626 [0,0,1,0,0,1|2,0,0]=4 3873 B13R1.40 CCC(=O)Cc1cccc(c1C)I 1458a_100000210414_100010150147 [0,0,1,0,0,1|2,0,0]=4 3874 B13R1.40 CCC(=O)Cc1cccc(c1F)C 1458a_100000210414_100011216058 [0,0,1,0,0,1|2,0,0]=4 3875 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 11a_100000684715_100000210414 [0,0,1,0,0,1|2,0,0]=4 3876 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000210414 [0,0,1,0,0,1|2,0,0]=4 3877 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000210414 [0,0,1,0,0,1|2,0,0]=4 3878 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 11a_100000750434_100000210414 [0,0,1,0,0,1|2,0,0]=4 3879 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000210414 [0,0,1,0,0,1|2,0,0]=4 3880 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000210414 [0,0,1,0,0,1|2,0,0]=4 3881 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 527a_100000750434_100000210414 [0,0,1,0,0,1|2,0,0]=4 3882 B13R1.40 CCC(=O)Nc1cccc(c1C)C 11a_100000210026_100000210414 [0,0,1,0,0,1|1,0,0]=3 3883 B13R1.40 CCC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000210414 [0,0,1,0,0,1|1,0,0]=3 3884 B13R1.40 CCC(=O)Nc1cccc(c1C)C 22a_100000210026_100000210414 [0,0,1,0,0,1|1,0,0]=3 3885 B13R1.40 CCC(=O)Nc1cccc(c1C)C 527a_100000210026_100000210414 [0,0,1,0,0,1|1,0,0]=3 3886 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100000210414 [0,0,1,0,0,1|2,0,0]=4 3887 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000210414 [0,0,1,0,0,1|2,0,0]=4 3888 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000210414 [0,0,1,0,0,1|2,0,0]=4 3889 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100000210414 [0,0,1,0,0,1|2,0,0]=4 3890 B13R1.40 CCC(=O)Nc1cccc(c1C)F 11a_100000745574_100000210414 [0,0,1,0,0,1|2,0,0]=4 3891 B13R1.40 CCC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000210414 [0,0,1,0,0,1|2,0,0]=4 3892 B13R1.40 CCC(=O)Nc1cccc(c1C)F 22a_100000745574_100000210414 [0,0,1,0,0,1|2,0,0]=4 3893 B13R1.40 CCC(=O)Nc1cccc(c1C)F 527a_100000745574_100000210414 [0,0,1,0,0,1|2,0,0]=4 3894 B13R1.40 CCC(=O)Nc1cccc(c1C)I 11a_100000761887_100000210414 [0,0,1,0,0,1|2,0,0]=4 3895 B13R1.40 CCC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000210414 [0,0,1,0,0,1|2,0,0]=4 3896 B13R1.40 CCC(=O)Nc1cccc(c1C)I 22a_100000761887_100000210414 [0,0,1,0,0,1|2,0,0]=4 3897 B13R1.40 CCC(=O)Nc1cccc(c1C)I 527a_100000761887_100000210414 [0,0,1,0,0,1|2,0,0]=4 3898 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,0,1,0,0,1|2,0,0]=4 3899 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,0,1,0,0,1|2,0,0]=4 3900 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,0,1,0,0,1|2,0,0]=4 3901 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100000210414 [0,0,1,0,0,1|2,0,0]=4 3902 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000210414 [0,0,1,0,0,1|2,0,0]=4 3903 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000210414 [0,0,1,0,0,1|2,0,0]=4 3904 B13R1.40 CCC(=O)Nc1cccc(c1F)C 11a_100000697159_100000210414 [0,0,1,0,0,1|2,0,0]=4 3905 B13R1.40 CCC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000210414 [0,0,1,0,0,1|2,0,0]=4 3906 B13R1.40 CCC(=O)Nc1cccc(c1F)C 527a_100000697159_100000210414 [0,0,1,0,0,1|2,0,0]=4 3907 B13R1.40 CCC(=O)Nc1cccc(c1I)C 11a_100000761888_100000210414 [0,0,1,0,0,1|2,0,0]=4 3908 B13R1.40 CCC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000210414 [0,0,1,0,0,1|2,0,0]=4 3909 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,0,1,0,0,1|2,0,0]=4 3910 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,0,1,0,0,1|2,0,0]=4 3911 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,0,1,0,0,1|2,0,0]=4 3912 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,0,1,0,0,1|2,0,0]=4 3913 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,0,1,0,0,1|1,0,0]=3 3914 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,0,1,0,0,1|1,0,0]=3 3915 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,0,1,0,0,1|1,0,0]=3 3916 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,0,1,0,0,1|1,0,0]=3 3917 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,0,1,0,0,1|2,0,0]=4 3918 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,0,1,0,0,1|2,0,0]=4 3919 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,0,1,0,0,1|2,0,0]=4 3920 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,0,1,0,0,1|2,0,0]=4 3921 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,0,1,0,0,1|2,0,0]=4 3922 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,0,1,0,0,1|2,0,0]=4 3923 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,0,1,0,0,1|2,0,0]=4 3924 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,0,1,0,0,1|2,0,0]=4 3925 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,0,1,0,0,1|0,0,0]=2 3926 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,0,1,0,0,1|0,0,0]=2 3927 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,0,1,0,0,1|0,0,0]=2 3928 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,0,1,0,0,1|0,0,0]=2 3929 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,0,1,0,0,1|1,0,0]=3 3930 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,0,1,0,0,1|1,0,0]=3 3931 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,0,1,0,0,1|1,0,0]=3 3932 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,0,1,0,0,1|1,0,0]=3 3933 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,0,1,0,0,1|2,0,0]=4 3934 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,0,1,0,0,1|2,0,0]=4 3935 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,0,1,0,0,1|2,0,0]=4 3936 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,0,1,0,0,1|2,0,0]=4 3937 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,0,1,0,0,1|2,0,0]=4 3938 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,0,1,0,0,1|2,0,0]=4 3939 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,0,1,0,0,1|2,0,0]=4 3940 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,0,1,0,0,1|2,0,0]=4 3941 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,0,1,0,0,1|2,0,0]=4 3942 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,0,1,0,0,1|2,0,0]=4 3943 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,0,1,0,0,1|2,0,0]=4 3944 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,0,1,0,0,1|2,0,0]=4 3945 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,0,1,0,0,1|2,0,0]=4 3946 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,0,1,0,0,1|2,0,0]=4 3947 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,0,1,0,0,1|2,0,0]=4 3948 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,0,1,0,0,1|2,0,0]=4 3949 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,0,1,0,0,1|2,0,0]=4 3950 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,0,1,0,0,1|2,0,0]=4 3951 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,0,1,0,0,1|2,0,0]=4 3952 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,0,1,0,0,1|2,0,0]=4 3953 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,0,1,0,0,1|2,0,0]=4 3954 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,0,1,0,0,1|2,0,0]=4 3955 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,0,1,0,0,1|2,0,0]=4 3956 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,0,1,0,0,1|2,0,0]=4 3957 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 240690a_100102657272_100000697016 [0,0,1,0,0,1|2,0,0]=4 3958 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 527a_100102657272_100000697016 [0,0,1,0,0,1|2,0,0]=4 3959 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,0,1,0,0,1|1,0,0]=3 3960 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,0,1,0,0,1|2,0,0]=4 3961 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,0,1,0,0,1|2,0,0]=4 3962 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,0,1,0,0,1|2,0,0]=4 3963 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,0,1,0,0,1|1,0,0]=3 3964 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,0,1,0,0,1|0,0,0]=2 3965 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,0,1,0,0,1|1,0,0]=3 3966 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,0,1,0,0,1|1,0,0]=3 3967 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,0,1,0,0,1|1,0,0]=3 3968 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,0,1,0,0,1|1,0,0]=3 3969 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,0,1,0,0,1|2,0,0]=4 3970 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,0,1,0,0,1|1,0,0]=3 3971 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,0,1,0,0,1|2,0,0]=4 3972 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,0,1,0,0,1|2,0,0]=4 3973 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,0,1,0,0,1|2,0,0]=4 3974 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,0,1,0,0,1|2,0,0]=4 3975 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,0,1,0,0,1|2,0,0]=4 3976 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,0,1,0,0,1|1,0,0]=3 3977 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,0,1,0,0,1|1,0,0]=3 3978 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,0,1,0,0,1|2,0,0]=4 3979 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,0,1,0,0,1|2,0,0]=4 3980 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,0,1,0,0,1|2,0,0]=4 3981 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,0,1,0,0,1|2,0,0]=4 3982 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,0,1,0,0,1|2,0,0]=4 3983 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,0,1,0,0,1|1,0,0]=3 3984 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,0,1,0,0,1|2,0,0]=4 3985 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,0,1,0,0,1|2,0,0]=4 3986 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,0,1,0,0,1|2,0,0]=4 3987 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,0,1,0,0,1|1,0,0]=3 3988 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,0,1,0,0,1|2,0,0]=4 3989 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,0,1,0,0,1|2,0,0]=4 3990 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,0,1,0,0,1|2,0,0]=4 3991 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,0,1,0,0,1|2,0,0]=4 3992 B13R1.40 Cc1cccc(c1C)CC(=O)CF 1458a_100011698479_100015361967 [0,0,1,0,0,1|2,0,0]=4 3993 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,0,1,0,0,1|2,0,0]=4 3994 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,0,1,0,0,1|2,0,0]=4 3995 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,0,1,0,0,1|2,0,0]=4 3996 B13R1.115 C=Cc1c(cccc1CC(=O)N)C 271570a_100011290941_100011096275 [0,0,1,0,0,1|0,0,2]=4 3997 B13R1.115 COc1c(cccc1CC(=O)C)C 1458a_100000070787_100012349798 [0,0,1,0,0,1|2,0,0]=4 3998 B13R1.115 COc1c(cccc1NC(=O)C)C 11a_100012017360_100015343762 [0,0,1,0,0,1|2,0,0]=4 3999 B13R1.115 COc1c(cccc1NC(=O)C)C 1626a_100012017360_100015343762 [0,0,1,0,0,1|2,0,0]=4 4000 B13R1.115 COc1c(cccc1NC(=O)C)C 22a_100012017360_100000070787 [0,0,1,0,0,1|2,0,0]=4 4001 B13R1.115 COc1c(cccc1NC(=O)C)C 527a_100012017360_100103153847 [0,0,1,0,0,1|2,0,0]=4 4002 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_100011096275_200000210301 [0,0,1,0,0,1|1,0,0]=3 4003 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_200000210301_100011096275 [0,0,1,0,0,1|1,0,0]=3 4004 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_100011096275_200025704644 [0,0,1,0,0,1|1,0,0]=3 4005 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_200025704644_100011096275 [0,0,1,0,0,1|1,0,0]=3