0 B13R2.449 C=C=Cc1cc2c(cn1)OCC2 271570a_100015277604_102495363667 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.449 C=C=Cc1ccc2c(c1)CCC2 271570a_100015277604_100000745594 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.449 C=C=Cc1ccc2c(c1)CCN2 271570a_100015277604_100000026929 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.449 C=C=Cc1ccc2c(c1)NCC2 271570a_100015277604_100000754641 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,0,0,0,0,0|0,0,2]=2 7 B13R2.449 C=C=Cc1ccc2ccoc2c1 271570a_100015277604_100000759542 [0,0,0,0,0,0|1,0,3]=4 8 B13R2.449 C=C=Cc1ccc2cnoc2c1 271570a_100015277604_100009817722 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.449 C=C=Cc1ccc2ncoc2c1 271570a_100015277604_100009817590 [0,0,0,0,0,0|1,0,3]=4 10 B13R2.449 C=C=Cc1ccc2occc2c1 271570a_100015277604_100012343831 [0,0,0,0,0,0|1,0,3]=4 11 B13R2.449 C=C=Cc1ccc2ocnc2c1 271570a_100015277604_100009816175 [0,0,0,0,0,0|1,0,3]=4 12 B13R2.449 C=C=Cc1ccc2oncc2c1 271570a_100015277604_100009817723 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,0,0,0,0,0|1,0,2]=3 17 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [0,0,0,0,0,0|2,0,2]=4 18 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,0,0,0,0,0|1,0,2]=3 19 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,0,0,0,0,0|0,0,2]=2 20 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,0,0,0,0,0|1,0,3]=4 21 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [0,0,0,0,0,0|2,0,2]=4 22 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [0,0,0,0,0,0|1,0,3]=4 23 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,0,0,0,0,0|1,0,3]=4 24 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [0,0,0,0,0,0|1,0,3]=4 25 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [0,0,0,0,0,0|2,0,2]=4 26 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [0,0,0,0,0,0|2,0,2]=4 27 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [0,0,0,0,0,0|2,0,2]=4 28 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,0,0,0,0,0|1,0,2]=3 29 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,0,0,0,0,0|1,0,2]=3 30 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,0,0,0,0,0|1,0,2]=3 31 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [0,0,0,0,0,0|2,0,2]=4 32 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100000210202_100009818566 [0,0,0,0,0,0|2,0,2]=4 34 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210202 [0,0,0,0,0,0|2,0,2]=4 35 B13R2.449 CNCc1ccc2c(c1)CCC2 207a_100102657272_100000765347 [0,0,0,0,0,0|3,0,1]=4 36 B13R2.449 CNCc1ccc2c(c1)CCC2 26a_100102657272_100000209987 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.449 CNCc1ccc2c(c1)CCC2 270004a_106832991635_100000765347 [0,0,0,0,0,0|3,0,1]=4 38 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,0,0,0,0,0|2,0,1]=3 39 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,0,0,0,0,0|2,0,1]=3 41 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,0,0,0,0,0|2,0,1]=3 42 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,0,0,0,0,0|1,0,1]=2 43 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,0,0,0,0,0|1,0,1]=2 44 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,0,0,0,0,0|1,0,1]=2 45 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,0,0,0,0,0|1,0,1]=2 46 B13R2.449 CNCc1ccc2cnoc2c1 26a_100102657272_100000098417 [0,0,0,0,0,0|3,0,1]=4 47 B13R2.449 CNCc1ccc2ncoc2c1 207a_100102657272_100000059852 [0,0,0,0,0,0|2,0,2]=4 48 B13R2.449 CNCc1ccc2ncoc2c1 2230a_106832991635_106359897996 [0,0,0,0,0,0|2,0,2]=4 49 B13R2.449 CNCc1ccc2ncoc2c1 270004a_106832991635_100000059852 [0,0,0,0,0,0|2,0,2]=4 50 B13R2.449 CNCc1ccc2ncoc2c1 34a_100102657272_106359897996 [0,0,0,0,0,0|2,0,2]=4 51 B13R2.449 CNCc1ccc2ncoc2c1 7a_106832991635_106359897996 [0,0,0,0,0,0|2,0,2]=4 52 B13R2.449 CNCc1ccc2occc2c1 207a_100102657272_100000040644 [0,0,0,0,0,0|2,0,2]=4 53 B13R2.449 CNCc1ccc2occc2c1 2230a_100020591328_200000210301 [0,0,0,0,0,0|2,0,2]=4 54 B13R2.449 CNCc1ccc2occc2c1 26a_100102657272_100000070125 [0,0,0,0,0,0|2,0,2]=4 55 B13R2.449 CNCc1ccc2occc2c1 270004a_106832991635_100000040644 [0,0,0,0,0,0|2,0,2]=4 56 B13R2.449 CNCc1ccc2occc2c1 34a_100020591328_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B13R2.449 CNCc1ccc2ocnc2c1 207a_100102657272_100010271902 [0,0,0,0,0,0|2,0,2]=4 58 B13R2.449 CNCc1ccc2ocnc2c1 2230a_106832991635_200010203175 [0,0,0,0,0,0|2,0,2]=4 59 B13R2.449 CNCc1ccc2ocnc2c1 270004a_106832991635_100010271902 [0,0,0,0,0,0|2,0,2]=4 60 B13R2.449 CNCc1ccc2ocnc2c1 34a_100102657272_200010203175 [0,0,0,0,0,0|2,0,2]=4 61 B13R2.449 CNCc1ccc2ocnc2c1 7a_106832991635_200010203175 [0,0,0,0,0,0|2,0,2]=4 62 B13R2.449 COCc1ccc2c(c1)CCC2 34a_200000765175_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B13R2.449 COCc1ccc2c(c1)CCC2 7a_200000765175_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B13R2.449 COCc1ccc2c(c1)NCC2 34a_100000694088_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,0,0,0,0,0|1,0,1]=2 68 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,0,0,0,0,0|1,0,1]=2 69 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,0,0,0,0,0|2,0,2]=4 71 B13R2.449 COCc1ccc2ncoc2c1 34a_100138415774_106359897996 [0,0,0,0,0,0|2,0,2]=4 72 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,0,0,0,0,0|2,0,2]=4 74 B13R2.449 COCc1ccc2ocnc2c1 34a_100138415774_200010203175 [0,0,0,0,0,0|2,0,2]=4 75 B13R2.449 CSCc1ccc2ncoc2c1 62a_106359897996_200000210301 [0,0,0,0,0,0|2,0,2]=4 76 B13R2.449 CSCc1ccc2ncoc2c1 62a_200000210301_106359897996 [0,0,0,0,0,0|2,0,2]=4 77 B13R2.449 CSCc1ccc2ocnc2c1 62a_200000210301_200010203175 [0,0,0,0,0,0|2,0,2]=4 78 B13R2.449 FCNc1ccc2c(c1)CCO2 34a_100000736984_100015361967 [0,0,0,0,0,0|3,0,1]=4 79 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,0,0,0,0,0|2,0,1]=3 80 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,0,0,0,0,0|2,0,1]=3 81 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100000729065_100015361967 [0,0,0,0,0,0|3,0,1]=4 82 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100015361967_100000729065 [0,0,0,0,0,0|3,0,1]=4 83 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100009818566_100015361967 [0,0,0,0,0,0|3,0,1]=4 84 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100015361967_100009818566 [0,0,0,0,0,0|3,0,1]=4 85 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,0,0,0,0,0|2,0,1]=3 86 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,0,0,0,0,0|2,0,1]=3 87 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,0,0,0,0,0|1,0,1]=2 88 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,0,0,0,0,0|1,0,1]=2 89 B13R2.449 [13CH3]NCc1ccc2occc2c1 2230a_100020591328_200025704644 [0,0,0,0,0,0|2,0,2]=4 90 B13R2.449 [13CH3]NCc1ccc2occc2c1 34a_100020591328_200025704644 [0,0,0,0,0,0|2,0,2]=4 91 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 34a_200000765175_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 7a_200000765175_200025704644 [0,0,0,0,0,0|3,0,1]=4 93 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,0,0,0,0,0|2,0,1]=3 94 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,0,0,0,0,0|2,0,1]=3 95 B13R2.449 [13CH3]OCc1ccc2c(c1)NCC2 34a_100000694088_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,0,0,0,0,0|1,0,1]=2 97 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,0,0,0,0,0|2,0,2]=4 98 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,0,0,0,0,0|2,0,2]=4 99 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,0,0,0,0,0|2,0,2]=4 100 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,0,0,0,0,0|2,0,2]=4 101 B13R2.449 [13CH3]SCc1ccc2ncoc2c1 62a_106359897996_200025704644 [0,0,0,0,0,0|2,0,2]=4 102 B13R2.449 [13CH3]SCc1ccc2ncoc2c1 62a_200025704644_106359897996 [0,0,0,0,0,0|2,0,2]=4 103 B13R2.449 [13CH3]SCc1ccc2ocnc2c1 62a_200025704644_200010203175 [0,0,0,0,0,0|2,0,2]=4 104 B12R2.44 C=Cc1cc2c(cn1)CCN2 271570a_100011290941_100020639910 [1,0,0,0,0,0|3,0,0]=4 105 B12R2.44 C=Cc1cc2c(cn1)NCC2 271570a_100011290941_100009884275 [1,0,0,0,0,0|3,0,0]=4 106 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [1,0,0,0,0,0|2,0,0]=3 107 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [1,0,0,0,0,0|2,0,1]=4 108 B12R2.44 C=Cc1ccc2[nH]cnc2c1 271570a_100011290941_100011265325 [1,0,0,0,0,0|2,0,1]=4 109 B12R2.44 C=Cc1ccc2[nH]ncc2c1 271570a_100011290941_100000049815 [1,0,0,0,0,0|3,0,0]=4 110 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [1,0,0,0,0,0|2,0,1]=4 111 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [1,0,0,0,0,0|2,0,1]=4 112 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [1,0,0,0,0,0|2,0,0]=3 113 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [1,0,0,0,0,0|2,0,0]=3 114 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [1,0,0,0,0,0|1,0,0]=2 115 B12R2.44 C=Cc1ccc2c(c1)CNC2 271570a_100011290941_100000702344 [1,0,0,0,0,0|3,0,0]=4 116 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [1,0,0,0,0,0|3,0,0]=4 117 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [1,0,0,0,0,0|2,0,0]=3 118 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [1,0,0,0,0,0|1,0,0]=2 119 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [1,0,0,0,0,0|0,0,0]=1 120 B12R2.44 C=Cc1ccc2c(n1)CCC2 271570a_100011290941_100000046531 [1,0,0,0,0,0|3,0,0]=4 121 B12R2.44 C=Cc1ccc2c(n1)CCN2 271570a_100011290941_100009872833 [1,0,0,0,0,0|3,0,0]=4 122 B12R2.44 C=Cc1ccc2cc[nH]c2c1 271570a_100011290941_100000743809 [1,0,0,0,0,0|2,0,1]=4 123 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [1,0,0,0,0,0|1,0,1]=3 124 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [1,0,0,0,0,0|1,1,1]=4 125 B12R2.44 C=Cc1ccc2cn[nH]c2c1 271570a_100011290941_100000049514 [1,0,0,0,0,0|3,0,0]=4 126 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [1,0,0,0,0,0|2,0,0]=3 127 B12R2.44 C=Cc1ccc2cscc2c1 271570a_100011290941_200010760811 [1,0,0,0,0,0|3,0,0]=4 128 B12R2.44 C=Cc1ccc2csnc2c1 271570a_100011290941_100010170880 [1,0,0,0,0,0|3,0,0]=4 129 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [1,0,0,0,0,0|1,0,1]=3 130 B12R2.44 C=Cc1ccc2ncsc2c1 271570a_100011290941_100009816678 [1,0,0,0,0,0|1,1,1]=4 131 B12R2.44 C=Cc1ccc2nn[nH]c2c1 271570a_100011290941_100009817464 [1,0,0,0,0,0|3,0,0]=4 132 B12R2.44 C=Cc1ccc2nonc2c1 271570a_100011290941_100009814275 [1,0,0,0,0,0|3,0,0]=4 133 B12R2.44 C=Cc1ccc2nsnc2c1 271570a_100011290941_100009814274 [1,0,0,0,0,0|3,0,0]=4 134 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [1,0,0,0,0,0|1,0,1]=3 135 B12R2.44 C=Cc1ccc2occc2n1 271570a_100011290941_100009851292 [1,0,0,0,0,0|2,0,1]=4 136 B12R2.44 C=Cc1ccc2ocnc2c1 271570a_100011290941_100009816175 [1,0,0,0,0,0|1,0,1]=3 137 B12R2.44 C=Cc1ccc2oncc2c1 271570a_100011290941_100009817723 [1,0,0,0,0,0|2,0,0]=3 138 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [1,0,0,0,0,0|1,1,1]=4 139 B12R2.44 C=Cc1ccc2scnc2c1 271570a_100011290941_100010005895 [1,0,0,0,0,0|1,1,1]=4 140 B12R2.44 C=Cc1cnc2c(c1)CCC2 271570a_100011290941_100000693888 [1,0,0,0,0,0|3,0,0]=4 141 B12R2.44 C=Cc1cnc2c(c1)CCN2 271570a_100011290941_100009817725 [1,0,0,0,0,0|3,0,0]=4 142 B12R2.44 C=Cc1cnc2c(c1)NCC2 271570a_100011290941_100000698607 [1,0,0,0,0,0|3,0,0]=4 143 B12R2.44 C=Cc1cnc2ncoc2c1 271570a_100011290941_100000721906 [1,0,0,0,0,0|2,0,1]=4 144 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [1,0,0,0,0,0|2,0,1]=4 145 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [1,0,0,0,0,0|2,0,1]=4 146 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [1,0,0,0,0,0|1,0,1]=3 147 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [1,0,0,0,0,0|1,0,1]=3 148 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [1,0,0,0,0,0|1,0,1]=3 149 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [1,0,0,0,0,0|2,0,1]=4 151 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [1,0,0,0,0,0|2,0,1]=4 152 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [1,0,0,0,0,0|2,0,1]=4 153 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [1,0,0,0,0,0|1,0,1]=3 156 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [1,0,0,0,0,0|1,0,1]=3 157 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [1,0,0,0,0,0|1,0,1]=3 158 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [1,0,0,0,0,0|2,0,1]=4 160 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [1,0,0,0,0,0|2,0,1]=4 162 B14R2.475 C=C=Cc1ccc2c(c1)C(=O)CO2 271570a_100015277604_100000752586 [0,1,0,0,0,0|1,0,2]=4 163 B14R2.475 CC=Cc1ccc2c(c1)C(=O)CO2 271570a_100016259895_100000752586 [0,1,0,0,0,0|1,0,2]=4 164 B14R2.583 C=C=Cc1cc2c(cc1N)OCO2 271570a_100015277604_100012557033 [0,1,0,0,0,0|0,0,2]=3 165 B14R2.583 C=C=Cc1cc2c(cc1O)OCO2 271570a_100015277604_100010290809 [0,1,0,0,0,0|0,0,2]=3 166 B14R2.583 CC=Cc1cc2c(cc1N)OCO2 271570a_100016259895_100012557033 [0,1,0,0,0,0|0,0,2]=3 167 B14R2.583 CC=Cc1cc2c(cc1O)OCO2 271570a_100016259895_100010290809 [0,1,0,0,0,0|0,0,2]=3 168 B14R2.583 CCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000210202 [0,1,0,0,0,0|1,0,2]=4 169 B14R2.583 CCNc1cc2c(cc1C)OCO2 34a_100000066439_100000210202 [0,1,0,0,0,0|1,0,2]=4 170 B14R2.583 CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000210202 [0,1,0,0,0,0|1,0,2]=4 171 B14R2.583 CCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000210202 [0,1,0,0,0,0|1,0,2]=4 172 B14R2.583 CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000210202 [0,1,0,0,0,0|1,0,2]=4 173 B14R2.583 CCOc1cc2c(cc1C)OCO2 34a_100000145572_100000210202 [0,1,0,0,0,0|1,0,2]=4 174 B14R2.583 CCOc1cc2c(cc1C)OCO2 7a_100000145572_100000210202 [0,1,0,0,0,0|1,0,2]=4 175 B14R2.583 CCSc1cc2c(cc1N)OCO2 62a_100012557033_100000210202 [0,1,0,0,0,0|1,0,2]=4 176 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_106832991635_100009995336 [0,1,0,0,0,0|1,0,1]=3 177 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_200011199097_200000210301 [0,1,0,0,0,0|1,0,1]=3 178 B14R2.583 CNCc1cc2c(cc1Br)OCO2 26a_100102657272_100010290809 [0,1,0,0,0,0|1,0,1]=3 179 B14R2.583 CNCc1cc2c(cc1Br)OCO2 270004a_106832991635_100000186749 [0,1,0,0,0,0|1,0,1]=3 180 B14R2.583 CNCc1cc2c(cc1Br)OCO2 34a_100102657272_100009995336 [0,1,0,0,0,0|1,0,1]=3 181 B14R2.583 CNCc1cc2c(cc1Br)OCO2 7a_106832991635_100009995336 [0,1,0,0,0,0|1,0,1]=3 182 B14R2.583 CNCc1cc2c(cc1C)OCO2 7a_106832991635_200000112958 [0,1,0,0,0,0|1,0,1]=3 183 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 207a_100102657272_100000015535 [0,1,0,0,0,0|1,0,1]=3 184 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 270004a_106832991635_100000015535 [0,1,0,0,0,0|1,0,1]=3 185 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 7a_106832991635_100000043460 [0,1,0,0,0,0|1,0,1]=3 186 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100000187691_200000210301 [0,1,0,0,0,0|1,0,1]=3 187 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100138415774_100009995336 [0,1,0,0,0,0|1,0,1]=3 188 B14R2.583 COCc1cc2c(cc1Br)OCO2 7a_100000187691_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B14R2.583 COCc1cc2c(cc1Cl)OCO2 34a_200000238738_200000210301 [0,1,0,0,0,0|1,0,1]=3 190 B14R2.583 COCc1cc2c(cc1Cl)OCO2 7a_200000238738_200000210301 [0,1,0,0,0,0|1,0,1]=3 191 B14R2.583 CSCc1cc2c(cc1Br)OCO2 62a_100009995336_200000210301 [0,1,0,0,0,0|1,0,1]=3 192 B14R2.583 CSCc1cc2c(cc1Cl)OCO2 62a_100000043460_200000210301 [0,1,0,0,0,0|1,0,1]=3 193 B14R2.583 Cc1cc2c(cc1NCF)OCO2 34a_100000066439_100015361967 [0,1,0,0,0,0|2,0,1]=4 194 B14R2.583 Cc1cc2c(cc1OCF)OCO2 34a_100000145572_100015361967 [0,1,0,0,0,0|2,0,1]=4 195 B14R2.583 Cc1cc2c(cc1OCF)OCO2 7a_100000145572_100015361967 [0,1,0,0,0,0|2,0,1]=4 196 B14R2.583 FCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100015361967 [0,1,0,0,0,0|2,0,1]=4 197 B14R2.583 FCOc1cc2c(cc1Br)OCO2 34a_100010290809_100015361967 [0,1,0,0,0,0|2,0,1]=4 198 B14R2.583 FCOc1cc2c(cc1Br)OCO2 7a_100010290809_100015361967 [0,1,0,0,0,0|2,0,1]=4 199 B14R2.583 Nc1cc2c(cc1SCF)OCO2 62a_100012557033_100015361967 [0,1,0,0,0,0|2,0,1]=4 200 B14R2.583 [13CH3]NCc1cc2c(cc1Br)OCO2 2230a_200011199097_200025704644 [0,1,0,0,0,0|1,0,1]=3 201 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 34a_100000187691_200025704644 [0,1,0,0,0,0|1,0,1]=3 202 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 7a_100000187691_200025704644 [0,1,0,0,0,0|1,0,1]=3 203 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 34a_200000238738_200025704644 [0,1,0,0,0,0|1,0,1]=3 204 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 7a_200000238738_200025704644 [0,1,0,0,0,0|1,0,1]=3 205 B14R2.583 [13CH3]SCc1cc2c(cc1Br)OCO2 62a_100009995336_200025704644 [0,1,0,0,0,0|1,0,1]=3 206 B14R2.583 [13CH3]SCc1cc2c(cc1Cl)OCO2 62a_100000043460_200025704644 [0,1,0,0,0,0|1,0,1]=3 207 B14R2.587 CNCc1cc(c2c(c1)CCO2)Br 207a_100102657272_100009816904 [0,1,0,0,0,0|2,0,1]=4 208 B14R2.587 CNCc1cc(c2c(c1)CCO2)Br 270004a_106832991635_100009816904 [0,1,0,0,0,0|2,0,1]=4 209 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 207a_100102657272_100000682445 [0,1,0,0,0,0|1,0,1]=3 210 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 270004a_106832991635_100000682445 [0,1,0,0,0,0|1,0,1]=3 211 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 207a_100102657272_100000016197 [0,1,0,0,0,0|1,0,1]=3 212 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 270004a_106832991635_100000016197 [0,1,0,0,0,0|1,0,1]=3 213 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200000210301 [0,1,0,0,0,0|1,0,1]=3 214 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200000210301 [0,1,0,0,0,0|1,0,1]=3 215 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200025704644 [0,1,0,0,0,0|1,0,1]=3 216 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200025704644 [0,1,0,0,0,0|1,0,1]=3 217 B14R2.808 C=C=Cc1ccc2c(c1C)OCO2 271570a_100015277604_100010335860 [0,1,0,0,0,0|0,0,2]=3 218 B14R2.808 C=C=Cc1ccc2c(c1F)OCO2 271570a_100015277604_100010223184 [0,1,0,0,0,0|0,0,2]=3 219 B14R2.808 CC=Cc1ccc2c(c1C)OCO2 271570a_100016259895_100010335860 [0,1,0,0,0,0|0,0,2]=3 220 B14R2.808 CC=Cc1ccc2c(c1F)OCO2 271570a_100016259895_100010223184 [0,1,0,0,0,0|0,0,2]=3 221 B14R2.808 CCSc1ccc2c(c1C)OCO2 62a_100010335860_100000210202 [0,1,0,0,0,0|1,0,2]=4 222 B14R2.808 CCSc1ccc2c(c1F)OCO2 62a_100010223184_100000210202 [0,1,0,0,0,0|1,0,2]=4 223 B14R2.808 Cc1c(ccc2c1OCO2)SCF 62a_100010335860_100015361967 [0,1,0,0,0,0|2,0,1]=4 224 B14R2.808 FCSc1ccc2c(c1F)OCO2 62a_100010223184_100015361967 [0,1,0,0,0,0|2,0,1]=4 225 B14R2.966 CC(N[13CH3])c1ccc2c(c1)CCO2 2230a_100159266031_200025704644 [0,1,0,0,0,0|2,0,1]=4 226 B14R2.966 CC(N[13CH3])c1ccc2c(c1)CCO2 34a_100159266031_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,1,0,0,0,0|1,0,1]=3 228 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,1,0,0,0,0|1,0,1]=3 229 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,1,0,0,0,0|0,0,3]=4 230 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 2230a_200000219546_200000210301 [0,1,0,0,0,0|1,0,2]=4 231 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 269982a_200000219546_200000210301 [0,1,0,0,0,0|1,0,2]=4 232 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 34a_200000219546_200000210301 [0,1,0,0,0,0|1,0,2]=4 233 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 2230a_200000219546_200025704644 [0,1,0,0,0,0|1,0,2]=4 234 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 269982a_200000219546_200025704644 [0,1,0,0,0,0|1,0,2]=4 235 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 34a_200000219546_200025704644 [0,1,0,0,0,0|1,0,2]=4 236 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,1,0,0,0,0|1,0,2]=4 237 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,1,0,0,0,0|1,0,2]=4 238 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,1,0,0,0,0|1,0,2]=4 239 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,1,0,0,0,0|1,0,2]=4 240 B14R2.966 CNC(C)c1ccc2c(c1)CCO2 2230a_100159266031_200000210301 [0,1,0,0,0,0|2,0,1]=4 241 B14R2.966 CNC(C)c1ccc2c(c1)CCO2 269862a_106832991636_100000241315 [0,1,0,0,0,0|2,0,1]=4 242 B14R2.966 CNC(C)c1ccc2c(c1)CCO2 34a_100159266031_200000210301 [0,1,0,0,0,0|2,0,1]=4 243 B14R2.966 CNC(C)c1ccc2c(c1)OCC2 269862a_106832991636_100000143635 [0,1,0,0,0,0|2,0,1]=4 244 B14R2.966 CNC(C)c1ccc2c(c1)OCO2 269862a_106832991636_100000211065 [0,1,0,0,0,0|1,0,1]=3 245 B14R2.966 CN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_200000210301 [0,1,0,0,0,0|1,0,1]=3 246 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,1,0,0,0,0|1,0,1]=3 247 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,1,0,0,0,0|1,0,1]=3 248 B14R2.966 C[C@@H](N[13CH3])c1ccc2c(c1)OCO2 2230a_100000744171_200025704644 [0,1,0,0,0,0|1,0,1]=3 249 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,1,0,0,0,0|1,0,2]=4 250 B14R2.991 C#CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000038162 [0,1,0,0,0,0|1,0,2]=4 251 B14R2.991 C#CCNc1ccc2c(c1)CCO2 34a_100000736984_100000184674 [0,1,0,0,0,0|1,0,2]=4 252 B14R2.991 C#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000038162 [0,1,0,0,0,0|0,0,2]=3 253 B14R2.991 C#CCNc1ccc2c(c1)OCO2 34a_100000209953_100000184674 [0,1,0,0,0,0|0,0,2]=3 254 B14R2.991 C#CCOc1ccc2c(c1)OCO2 34a_100000210298_100000184674 [0,1,0,0,0,0|0,0,2]=3 255 B14R2.991 C#CCSc1ccc2c(c1)CCO2 62a_100000038162_100000729065 [0,1,0,0,0,0|1,0,2]=4 256 B14R2.991 C#CCSc1ccc2c(c1)OCC2 62a_100000038162_100009818566 [0,1,0,0,0,0|1,0,2]=4 257 B14R2.991 C=CCNc1ccc2c(c1)CCC2 2230a_100000211504_100000210623 [0,1,0,0,0,0|2,0,0]=3 258 B14R2.991 C=CCNc1ccc2c(c1)CCC2 34a_100000211504_100015514636 [0,1,0,0,0,0|2,0,0]=3 259 B14R2.991 C=CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210623 [0,1,0,0,0,0|1,0,0]=2 260 B14R2.991 C=CCNc1ccc2c(c1)CCO2 34a_100000736984_100015514636 [0,1,0,0,0,0|1,0,0]=2 261 B14R2.991 C=CCNc1ccc2c(c1)COC2 2230a_100011728444_100000210623 [0,1,0,0,0,0|3,0,0]=4 262 B14R2.991 C=CCNc1ccc2c(c1)COC2 34a_100011728444_100015514636 [0,1,0,0,0,0|3,0,0]=4 263 B14R2.991 C=CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210623 [0,1,0,0,0,0|0,0,0]=1 264 B14R2.991 C=CCNc1ccc2c(c1)OCO2 34a_100000209953_100015514636 [0,1,0,0,0,0|0,0,0]=1 265 B14R2.991 C=CCNc1ccc2ccoc2c1 34a_100000102395_100015514636 [0,1,0,0,0,0|1,0,1]=3 266 B14R2.991 C=CCNc1ccc2cnoc2c1 34a_100000084182_100015514636 [0,1,0,0,0,0|2,0,0]=3 267 B14R2.991 C=CCNc1ccc2ncoc2c1 34a_100011248239_100015514636 [0,1,0,0,0,0|1,0,1]=3 268 B14R2.991 C=CCNc1ccc2ncsc2c1 34a_100011215093_100015514636 [0,1,0,0,0,0|1,1,1]=4 269 B14R2.991 C=CCNc1ccc2occc2c1 34a_106430523501_100015514636 [0,1,0,0,0,0|1,0,1]=3 270 B14R2.991 C=CCNc1ccc2ocnc2c1 34a_100011219863_100015514636 [0,1,0,0,0,0|1,0,1]=3 271 B14R2.991 C=CCNc1ccc2oncc2c1 34a_100000037595_100015514636 [0,1,0,0,0,0|2,0,0]=3 272 B14R2.991 C=CCNc1ccc2sccc2c1 34a_100000681076_100015514636 [0,1,0,0,0,0|1,1,1]=4 273 B14R2.991 C=CCNc1ccc2scnc2c1 34a_100000047738_100015514636 [0,1,0,0,0,0|1,1,1]=4 274 B14R2.991 C=CCNc1ccc2sncc2c1 34a_100000077742_100015514636 [0,1,0,0,0,0|2,1,0]=4 275 B14R2.991 C=CCOc1ccc2[nH]ccc2c1 34a_100000756620_100015514636 [0,1,0,0,0,0|2,0,1]=4 276 B14R2.991 C=CCOc1ccc2c(c1)CCC2 34a_100000209987_100015514636 [0,1,0,0,0,0|2,0,0]=3 277 B14R2.991 C=CCOc1ccc2c(c1)CCC2 7a_100000209987_100015514636 [0,1,0,0,0,0|2,0,0]=3 278 B14R2.991 C=CCOc1ccc2c(c1)CCN2 34a_100020636429_100015514636 [0,1,0,0,0,0|2,0,0]=3 279 B14R2.991 C=CCOc1ccc2c(c1)CNC2 34a_100015195982_100015514636 [0,1,0,0,0,0|3,0,0]=4 280 B14R2.991 C=CCOc1ccc2c(c1)NCC2 34a_100020636427_100015514636 [0,1,0,0,0,0|2,0,0]=3 281 B14R2.991 C=CCOc1ccc2c(c1)OCO2 34a_100000210298_100015514636 [0,1,0,0,0,0|0,0,0]=1 282 B14R2.991 C=CCOc1ccc2cc[nH]c2c1 34a_100000036713_100015514636 [0,1,0,0,0,0|2,0,1]=4 283 B14R2.991 C=CCOc1ccc2ccoc2c1 34a_100000089557_100015514636 [0,1,0,0,0,0|1,0,1]=3 284 B14R2.991 C=CCOc1ccc2ccoc2c1 7a_100000089557_100015514636 [0,1,0,0,0,0|1,0,1]=3 285 B14R2.991 C=CCOc1ccc2cnoc2c1 34a_100000098417_100015514636 [0,1,0,0,0,0|2,0,0]=3 286 B14R2.991 C=CCOc1ccc2cnoc2c1 7a_100000098417_100015514636 [0,1,0,0,0,0|2,0,0]=3 287 B14R2.991 C=CCOc1ccc2ncsc2c1 34a_100011995850_100015514636 [0,1,0,0,0,0|1,1,1]=4 288 B14R2.991 C=CCOc1ccc2ncsc2c1 7a_100011995850_100015514636 [0,1,0,0,0,0|1,1,1]=4 289 B14R2.991 C=CCOc1ccc2nonc2c1 34a_100000036933_100015514636 [0,1,0,0,0,0|3,0,0]=4 290 B14R2.991 C=CCOc1ccc2occc2c1 34a_100000070125_100015514636 [0,1,0,0,0,0|1,0,1]=3 291 B14R2.991 C=CCOc1ccc2occc2c1 7a_100000070125_100015514636 [0,1,0,0,0,0|1,0,1]=3 292 B14R2.991 C=CCOc1ccc2sccc2c1 34a_100012180905_100015514636 [0,1,0,0,0,0|1,1,1]=4 293 B14R2.991 C=CCOc1ccc2sccc2c1 7a_100012180905_100015514636 [0,1,0,0,0,0|1,1,1]=4 294 B14R2.991 C=CCOc1ccc2scnc2c1 34a_200009850626_100015514636 [0,1,0,0,0,0|1,1,1]=4 295 B14R2.991 C=CCOc1ccc2scnc2c1 7a_200009850626_100015514636 [0,1,0,0,0,0|1,1,1]=4 296 B14R2.991 C=CCSc1cc2c(cn1)CCN2 62a_100000210623_100020639910 [0,1,0,0,0,0|3,0,0]=4 297 B14R2.991 C=CCSc1cc2c(cn1)CCN2 62a_100020639910_100000210623 [0,1,0,0,0,0|3,0,0]=4 298 B14R2.991 C=CCSc1cc2c(cn1)NCC2 62a_100000210623_100009884275 [0,1,0,0,0,0|3,0,0]=4 299 B14R2.991 C=CCSc1cc2c(cn1)NCC2 62a_100009884275_100000210623 [0,1,0,0,0,0|3,0,0]=4 300 B14R2.991 C=CCSc1cc2c(cn1)OCC2 62a_100000210623_102495363667 [0,1,0,0,0,0|2,0,0]=3 301 B14R2.991 C=CCSc1cc2c(cn1)OCC2 62a_102495363667_100000210623 [0,1,0,0,0,0|2,0,0]=3 302 B14R2.991 C=CCSc1ccc2[nH]ccc2c1 62a_100000210623_100000035808 [0,1,0,0,0,0|2,0,1]=4 303 B14R2.991 C=CCSc1ccc2[nH]cnc2c1 62a_100000210623_100011265325 [0,1,0,0,0,0|2,0,1]=4 304 B14R2.991 C=CCSc1ccc2[nH]ncc2c1 62a_100000210623_100000049815 [0,1,0,0,0,0|3,0,0]=4 305 B14R2.991 C=CCSc1ccc2c(c1)C=CC2 62a_100000210623_100009814306 [0,1,0,0,0,0|2,0,1]=4 306 B14R2.991 C=CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210623 [0,1,0,0,0,0|2,0,1]=4 307 B14R2.991 C=CCSc1ccc2c(c1)CC=C2 62a_100000210623_200009818231 [0,1,0,0,0,0|2,0,1]=4 308 B14R2.991 C=CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210623 [0,1,0,0,0,0|2,0,1]=4 309 B14R2.991 C=CCSc1ccc2c(c1)CCC2 62a_100000210623_100000745594 [0,1,0,0,0,0|2,0,0]=3 310 B14R2.991 C=CCSc1ccc2c(c1)CCC2 62a_100000745594_100000210623 [0,1,0,0,0,0|2,0,0]=3 311 B14R2.991 C=CCSc1ccc2c(c1)CCN2 62a_100000210623_100000691068 [0,1,0,0,0,0|2,0,0]=3 312 B14R2.991 C=CCSc1ccc2c(c1)CCN2 62a_100000691068_100000210623 [0,1,0,0,0,0|2,0,0]=3 313 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000210623_100000729065 [0,1,0,0,0,0|1,0,0]=2 314 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210623 [0,1,0,0,0,0|1,0,0]=2 315 B14R2.991 C=CCSc1ccc2c(c1)CNC2 62a_100000210623_100000702344 [0,1,0,0,0,0|3,0,0]=4 316 B14R2.991 C=CCSc1ccc2c(c1)CNC2 62a_100000702344_100000210623 [0,1,0,0,0,0|3,0,0]=4 317 B14R2.991 C=CCSc1ccc2c(c1)COC2 62a_100000210623_100000698232 [0,1,0,0,0,0|3,0,0]=4 318 B14R2.991 C=CCSc1ccc2c(c1)COC2 62a_100000698232_100000210623 [0,1,0,0,0,0|3,0,0]=4 319 B14R2.991 C=CCSc1ccc2c(c1)NCC2 62a_100000210623_100000754641 [0,1,0,0,0,0|2,0,0]=3 320 B14R2.991 C=CCSc1ccc2c(c1)NCC2 62a_100000754641_100000210623 [0,1,0,0,0,0|2,0,0]=3 321 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100000210623_100009818566 [0,1,0,0,0,0|1,0,0]=2 322 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210623 [0,1,0,0,0,0|1,0,0]=2 323 B14R2.991 C=CCSc1ccc2c(n1)CCC2 62a_100000046531_100000210623 [0,1,0,0,0,0|3,0,0]=4 324 B14R2.991 C=CCSc1ccc2c(n1)CCC2 62a_100000210623_100000046531 [0,1,0,0,0,0|3,0,0]=4 325 B14R2.991 C=CCSc1ccc2c(n1)CCN2 62a_100000210623_100009872833 [0,1,0,0,0,0|3,0,0]=4 326 B14R2.991 C=CCSc1ccc2c(n1)CCN2 62a_100009872833_100000210623 [0,1,0,0,0,0|3,0,0]=4 327 B14R2.991 C=CCSc1ccc2cc[nH]c2c1 62a_100000210623_100000743809 [0,1,0,0,0,0|2,0,1]=4 328 B14R2.991 C=CCSc1ccc2ccoc2c1 62a_100000210623_100000759542 [0,1,0,0,0,0|1,0,1]=3 329 B14R2.991 C=CCSc1ccc2ccsc2c1 62a_100000210623_100009888917 [0,1,0,0,0,0|1,1,1]=4 330 B14R2.991 C=CCSc1ccc2cn[nH]c2c1 62a_100000210623_100000049514 [0,1,0,0,0,0|3,0,0]=4 331 B14R2.991 C=CCSc1ccc2cnoc2c1 62a_100000210623_100009817722 [0,1,0,0,0,0|2,0,0]=3 332 B14R2.991 C=CCSc1ccc2cscc2c1 62a_100000210623_200010760811 [0,1,0,0,0,0|3,0,0]=4 333 B14R2.991 C=CCSc1ccc2csnc2c1 62a_100000210623_100010170880 [0,1,0,0,0,0|3,0,0]=4 334 B14R2.991 C=CCSc1ccc2ncoc2c1 62a_100000210623_100009817590 [0,1,0,0,0,0|1,0,1]=3 335 B14R2.991 C=CCSc1ccc2ncsc2c1 62a_100000210623_100009816678 [0,1,0,0,0,0|1,1,1]=4 336 B14R2.991 C=CCSc1ccc2ncsc2c1 62a_100009816678_100000210623 [0,1,0,0,0,0|1,1,1]=4 337 B14R2.991 C=CCSc1ccc2nn[nH]c2c1 62a_100000210623_100009817464 [0,1,0,0,0,0|3,0,0]=4 338 B14R2.991 C=CCSc1ccc2nonc2c1 62a_100000210623_100009814275 [0,1,0,0,0,0|3,0,0]=4 339 B14R2.991 C=CCSc1ccc2nonc2c1 62a_100009814275_100000210623 [0,1,0,0,0,0|3,0,0]=4 340 B14R2.991 C=CCSc1ccc2nsnc2c1 62a_100000210623_100009814274 [0,1,0,0,0,0|3,0,0]=4 341 B14R2.991 C=CCSc1ccc2nsnc2c1 62a_100009814274_100000210623 [0,1,0,0,0,0|3,0,0]=4 342 B14R2.991 C=CCSc1ccc2occc2c1 62a_100000210623_100000691453 [0,1,0,0,0,0|1,0,1]=3 343 B14R2.991 C=CCSc1ccc2occc2n1 62a_100000210623_100009851292 [0,1,0,0,0,0|2,0,1]=4 344 B14R2.991 C=CCSc1ccc2ocnc2c1 62a_100000210623_100009816175 [0,1,0,0,0,0|1,0,1]=3 345 B14R2.991 C=CCSc1ccc2oncc2c1 62a_100000210623_100009817723 [0,1,0,0,0,0|2,0,0]=3 346 B14R2.991 C=CCSc1ccc2sccc2c1 62a_100000210623_100009814439 [0,1,0,0,0,0|1,1,1]=4 347 B14R2.991 C=CCSc1ccc2scnc2c1 62a_100000210623_100010005895 [0,1,0,0,0,0|1,1,1]=4 348 B14R2.991 C=CCSc1cnc2c(c1)CCC2 62a_100000210623_100000693888 [0,1,0,0,0,0|3,0,0]=4 349 B14R2.991 C=CCSc1cnc2c(c1)CCC2 62a_100000693888_100000210623 [0,1,0,0,0,0|3,0,0]=4 350 B14R2.991 C=CCSc1cnc2c(c1)CCN2 62a_100000210623_100009817725 [0,1,0,0,0,0|3,0,0]=4 351 B14R2.991 C=CCSc1cnc2c(c1)CCN2 62a_100009817725_100000210623 [0,1,0,0,0,0|3,0,0]=4 352 B14R2.991 C=CCSc1cnc2c(c1)NCC2 62a_100000210623_100000698607 [0,1,0,0,0,0|3,0,0]=4 353 B14R2.991 C=CCSc1cnc2c(c1)NCC2 62a_100000698607_100000210623 [0,1,0,0,0,0|3,0,0]=4 354 B14R2.991 C=CCSc1cnc2ncoc2c1 62a_100000210623_100000721906 [0,1,0,0,0,0|2,0,1]=4 355 B14R2.991 C=CCSc1cnc2ncoc2c1 62a_100000721906_100000210623 [0,1,0,0,0,0|2,0,1]=4 356 B14R2.991 CCCCc1ccc2c(c1)CCO2 271570a_100020621405_100000729065 [0,1,0,0,0,0|1,0,2]=4 357 B14R2.991 CCCCc1ccc2c(c1)OCC2 271570a_100020621405_100009818566 [0,1,0,0,0,0|1,0,2]=4 358 B14R2.991 CCCCc1ccc2c(c1)OCO2 271570a_100020621405_100000688060 [0,1,0,0,0,0|0,0,2]=3 359 B14R2.991 CCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210303 [0,1,0,0,0,0|1,0,2]=4 360 B14R2.991 CCCNc1ccc2c(c1)CCO2 34a_100000736984_100000210303 [0,1,0,0,0,0|1,0,2]=4 361 B14R2.991 CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210303 [0,1,0,0,0,0|0,0,2]=3 362 B14R2.991 CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210303 [0,1,0,0,0,0|0,0,2]=3 363 B14R2.991 CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210303 [0,1,0,0,0,0|0,0,2]=3 364 B14R2.991 CCCSc1ccc2c(c1)CCO2 62a_100000210303_100000729065 [0,1,0,0,0,0|1,0,2]=4 365 B14R2.991 CCCSc1ccc2c(c1)CCO2 62a_100000729065_100000210303 [0,1,0,0,0,0|1,0,2]=4 366 B14R2.991 CCCSc1ccc2c(c1)OCC2 62a_100000210303_100009818566 [0,1,0,0,0,0|1,0,2]=4 367 B14R2.991 CCCSc1ccc2c(c1)OCC2 62a_100009818566_100000210303 [0,1,0,0,0,0|1,0,2]=4 368 B14R2.991 CCNCc1ccc2c(c1)CCO2 207a_100015525214_100011218456 [0,1,0,0,0,0|1,0,2]=4 369 B14R2.991 CCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000210202 [0,1,0,0,0,0|1,0,2]=4 370 B14R2.991 CCNCc1ccc2c(c1)CCO2 270004a_100015525214_100011218456 [0,1,0,0,0,0|1,0,2]=4 371 B14R2.991 CCNCc1ccc2c(c1)CCO2 34a_100011219410_100000210202 [0,1,0,0,0,0|1,0,2]=4 372 B14R2.991 CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210202 [0,1,0,0,0,0|0,0,2]=3 373 B14R2.991 CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210202 [0,1,0,0,0,0|0,0,2]=3 374 B14R2.991 CCOCc1ccc2c(c1)CCO2 34a_100011219353_100000210202 [0,1,0,0,0,0|1,0,2]=4 375 B14R2.991 CCOCc1ccc2c(c1)CCO2 7a_100011219353_100000210202 [0,1,0,0,0,0|1,0,2]=4 376 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210202 [0,1,0,0,0,0|0,0,2]=3 377 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100121572206_100000189651 [0,1,0,0,0,0|0,0,2]=3 378 B14R2.991 CNCCc1ccc2c(c1)CCO2 2230a_106832991635_100000763274 [0,1,0,0,0,0|1,0,2]=4 379 B14R2.991 CNCCc1ccc2c(c1)CCO2 34a_100102657272_100000763274 [0,1,0,0,0,0|1,0,2]=4 380 B14R2.991 CNCCc1ccc2c(c1)CCO2 7a_106832991635_100000763274 [0,1,0,0,0,0|1,0,2]=4 381 B14R2.991 CNCCc1ccc2c(c1)OCO2 2230a_100000204656_200000210301 [0,1,0,0,0,0|0,0,2]=3 382 B14R2.991 CNCCc1ccc2c(c1)OCO2 34a_100000204656_200000210301 [0,1,0,0,0,0|0,0,2]=3 383 B14R2.991 COCCc1ccc2c(c1)CCO2 34a_100012161074_200000210301 [0,1,0,0,0,0|1,0,2]=4 384 B14R2.991 COCCc1ccc2c(c1)CCO2 34a_100138415774_100000763274 [0,1,0,0,0,0|1,0,2]=4 385 B14R2.991 COCCc1ccc2c(c1)CCO2 7a_100012161074_200000210301 [0,1,0,0,0,0|1,0,2]=4 386 B14R2.991 COCCc1ccc2c(c1)OCO2 34a_100011934097_200000210301 [0,1,0,0,0,0|0,0,2]=3 387 B14R2.991 COCNc1ccc2c(c1)CCO2 2230a_100000736984_100000766300 [0,1,0,0,0,0|2,0,1]=4 388 B14R2.991 COCNc1ccc2c(c1)OCO2 2230a_100000209953_100000766300 [0,1,0,0,0,0|1,0,1]=3 389 B14R2.991 COCSc1ccc2c(c1)CCO2 62a_100000729065_100000766300 [0,1,0,0,0,0|2,0,1]=4 390 B14R2.991 COCSc1ccc2c(c1)CCO2 62a_100000766300_100000729065 [0,1,0,0,0,0|2,0,1]=4 391 B14R2.991 COCSc1ccc2c(c1)OCC2 62a_100000766300_100009818566 [0,1,0,0,0,0|2,0,1]=4 392 B14R2.991 COCSc1ccc2c(c1)OCC2 62a_100009818566_100000766300 [0,1,0,0,0,0|2,0,1]=4 393 B14R2.991 CSCCc1ccc2c(c1)CCO2 62a_100000763274_200000210301 [0,1,0,0,0,0|1,0,2]=4 394 B14R2.991 CSCCc1ccc2c(c1)CCO2 62a_200000210301_100000763274 [0,1,0,0,0,0|1,0,2]=4 395 B14R2.991 CSCNc1ccc2c(c1)CCO2 2230a_100000736984_100011218213 [0,1,0,0,0,0|2,0,1]=4 396 B14R2.991 CSCNc1ccc2c(c1)CCO2 34a_100000736984_100011218213 [0,1,0,0,0,0|2,0,1]=4 397 B14R2.991 CSCNc1ccc2c(c1)OCO2 2230a_100000209953_100011218213 [0,1,0,0,0,0|1,0,1]=3 398 B14R2.991 CSCNc1ccc2c(c1)OCO2 34a_100000209953_100011218213 [0,1,0,0,0,0|1,0,1]=3 399 B14R2.991 CSCOc1ccc2c(c1)OCO2 34a_100000210298_100011218213 [0,1,0,0,0,0|1,0,1]=3 400 B14R2.991 CSCSc1ccc2c(c1)CCO2 62a_100000729065_100011218213 [0,1,0,0,0,0|2,0,1]=4 401 B14R2.991 CSCSc1ccc2c(c1)CCO2 62a_100011218213_100000729065 [0,1,0,0,0,0|2,0,1]=4 402 B14R2.991 CSCSc1ccc2c(c1)OCC2 62a_100009818566_100011218213 [0,1,0,0,0,0|2,0,1]=4 403 B14R2.991 CSCSc1ccc2c(c1)OCC2 62a_100011218213_100009818566 [0,1,0,0,0,0|2,0,1]=4 404 B14R2.991 FCCNc1ccc2c(c1)CCO2 2230a_100000736984_100011217306 [0,1,0,0,0,0|2,0,1]=4 405 B14R2.991 FCCNc1ccc2c(c1)CCO2 34a_100000736984_100011217306 [0,1,0,0,0,0|2,0,1]=4 406 B14R2.991 FCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011217306 [0,1,0,0,0,0|1,0,1]=3 407 B14R2.991 FCCNc1ccc2c(c1)OCO2 34a_100000209953_100011217306 [0,1,0,0,0,0|1,0,1]=3 408 B14R2.991 FCCOc1ccc2c(c1)OCO2 34a_100000210298_100011217306 [0,1,0,0,0,0|1,0,1]=3 409 B14R2.991 FCCSc1ccc2c(c1)CCO2 62a_100000729065_100011217306 [0,1,0,0,0,0|2,0,1]=4 410 B14R2.991 FCCSc1ccc2c(c1)CCO2 62a_100011217306_100000729065 [0,1,0,0,0,0|2,0,1]=4 411 B14R2.991 FCCSc1ccc2c(c1)OCC2 62a_100009818566_100011217306 [0,1,0,0,0,0|2,0,1]=4 412 B14R2.991 FCCSc1ccc2c(c1)OCC2 62a_100011217306_100009818566 [0,1,0,0,0,0|2,0,1]=4 413 B14R2.991 FCNCc1ccc2c(c1)CCO2 34a_100011219410_100015361967 [0,1,0,0,0,0|2,0,1]=4 414 B14R2.991 FCNCc1ccc2c(c1)OCO2 34a_100000210006_100015361967 [0,1,0,0,0,0|1,0,1]=3 415 B14R2.991 FCOCc1ccc2c(c1)CCO2 34a_100011219353_100015361967 [0,1,0,0,0,0|2,0,1]=4 416 B14R2.991 FCOCc1ccc2c(c1)CCO2 7a_100011219353_100015361967 [0,1,0,0,0,0|2,0,1]=4 417 B14R2.991 FCOCc1ccc2c(c1)OCO2 34a_100000210967_100015361967 [0,1,0,0,0,0|1,0,1]=3 418 B14R2.991 N#CCNc1ccc2c(c1)CCO2 2230a_100000736984_100011215382 [0,1,0,0,0,0|2,0,1]=4 419 B14R2.991 N#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100011215382 [0,1,0,0,0,0|1,0,1]=3 420 B14R2.991 N#CCSc1ccc2c(c1)CCO2 62a_100000729065_100011215382 [0,1,0,0,0,0|2,0,1]=4 421 B14R2.991 N#CCSc1ccc2c(c1)CCO2 62a_100011215382_100000729065 [0,1,0,0,0,0|2,0,1]=4 422 B14R2.991 N#CCSc1ccc2c(c1)OCC2 62a_100009818566_100011215382 [0,1,0,0,0,0|2,0,1]=4 423 B14R2.991 N#CCSc1ccc2c(c1)OCC2 62a_100011215382_100009818566 [0,1,0,0,0,0|2,0,1]=4 424 B14R2.991 O=CCNc1ccc2c(c1)CCC2 2230a_100000211504_200015260668 [0,1,0,0,0,0|3,0,0]=4 425 B14R2.991 O=CCNc1ccc2c(c1)CCC2 34a_100000211504_200009817547 [0,1,0,0,0,0|3,0,0]=4 426 B14R2.991 O=CCNc1ccc2c(c1)CCO2 2230a_100000736984_200015260668 [0,1,0,0,0,0|2,0,0]=3 427 B14R2.991 O=CCNc1ccc2c(c1)CCO2 34a_100000736984_200009817547 [0,1,0,0,0,0|2,0,0]=3 428 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [0,1,0,0,0,0|1,0,0]=2 429 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [0,1,0,0,0,0|1,0,0]=2 430 B14R2.991 O=CCNc1ccc2ccoc2c1 34a_100000102395_200009817547 [0,1,0,0,0,0|2,0,1]=4 431 B14R2.991 O=CCNc1ccc2cnoc2c1 34a_100000084182_200009817547 [0,1,0,0,0,0|3,0,0]=4 432 B14R2.991 O=CCNc1ccc2ncoc2c1 34a_100011248239_200009817547 [0,1,0,0,0,0|2,0,1]=4 433 B14R2.991 O=CCNc1ccc2occc2c1 34a_106430523501_200009817547 [0,1,0,0,0,0|2,0,1]=4 434 B14R2.991 O=CCNc1ccc2ocnc2c1 34a_100011219863_200009817547 [0,1,0,0,0,0|2,0,1]=4 435 B14R2.991 O=CCNc1ccc2oncc2c1 34a_100000037595_200009817547 [0,1,0,0,0,0|3,0,0]=4 436 B14R2.991 O=CCOc1ccc2c(c1)CCC2 34a_100000209987_200009817547 [0,1,0,0,0,0|3,0,0]=4 437 B14R2.991 O=CCOc1ccc2c(c1)CCC2 7a_100000209987_200015260668 [0,1,0,0,0,0|3,0,0]=4 438 B14R2.991 O=CCOc1ccc2c(c1)CCN2 34a_100020636429_200009817547 [0,1,0,0,0,0|3,0,0]=4 439 B14R2.991 O=CCOc1ccc2c(c1)NCC2 34a_100020636427_200009817547 [0,1,0,0,0,0|3,0,0]=4 440 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [0,1,0,0,0,0|1,0,0]=2 441 B14R2.991 O=CCOc1ccc2ccoc2c1 34a_100000089557_200009817547 [0,1,0,0,0,0|2,0,1]=4 442 B14R2.991 O=CCOc1ccc2ccoc2c1 7a_100000089557_200015260668 [0,1,0,0,0,0|2,0,1]=4 443 B14R2.991 O=CCOc1ccc2cnoc2c1 34a_100000098417_200009817547 [0,1,0,0,0,0|3,0,0]=4 444 B14R2.991 O=CCOc1ccc2cnoc2c1 7a_100000098417_200015260668 [0,1,0,0,0,0|3,0,0]=4 445 B14R2.991 O=CCOc1ccc2occc2c1 34a_100000070125_200009817547 [0,1,0,0,0,0|2,0,1]=4 446 B14R2.991 O=CCOc1ccc2occc2c1 7a_100000070125_200015260668 [0,1,0,0,0,0|2,0,1]=4 447 B14R2.991 O=CCSc1cc2c(cn1)OCC2 62a_102495363667_200015260668 [0,1,0,0,0,0|3,0,0]=4 448 B14R2.991 O=CCSc1cc2c(cn1)OCC2 62a_200015260668_102495363667 [0,1,0,0,0,0|3,0,0]=4 449 B14R2.991 O=CCSc1ccc2c(c1)CCC2 62a_100000745594_200015260668 [0,1,0,0,0,0|3,0,0]=4 450 B14R2.991 O=CCSc1ccc2c(c1)CCC2 62a_200015260668_100000745594 [0,1,0,0,0,0|3,0,0]=4 451 B14R2.991 O=CCSc1ccc2c(c1)CCN2 62a_100000691068_200015260668 [0,1,0,0,0,0|3,0,0]=4 452 B14R2.991 O=CCSc1ccc2c(c1)CCN2 62a_200015260668_100000691068 [0,1,0,0,0,0|3,0,0]=4 453 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_100000729065_200015260668 [0,1,0,0,0,0|2,0,0]=3 454 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_200015260668_100000729065 [0,1,0,0,0,0|2,0,0]=3 455 B14R2.991 O=CCSc1ccc2c(c1)NCC2 62a_100000754641_200015260668 [0,1,0,0,0,0|3,0,0]=4 456 B14R2.991 O=CCSc1ccc2c(c1)NCC2 62a_200015260668_100000754641 [0,1,0,0,0,0|3,0,0]=4 457 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_100009818566_200015260668 [0,1,0,0,0,0|2,0,0]=3 458 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_200015260668_100009818566 [0,1,0,0,0,0|2,0,0]=3 459 B14R2.991 O=CCSc1ccc2ccoc2c1 62a_200015260668_100000759542 [0,1,0,0,0,0|2,0,1]=4 460 B14R2.991 O=CCSc1ccc2cnoc2c1 62a_200015260668_100009817722 [0,1,0,0,0,0|3,0,0]=4 461 B14R2.991 O=CCSc1ccc2ncoc2c1 62a_200015260668_100009817590 [0,1,0,0,0,0|2,0,1]=4 462 B14R2.991 O=CCSc1ccc2occc2c1 62a_200015260668_100000691453 [0,1,0,0,0,0|2,0,1]=4 463 B14R2.991 O=CCSc1ccc2ocnc2c1 62a_200015260668_100009816175 [0,1,0,0,0,0|2,0,1]=4 464 B14R2.991 O=CCSc1ccc2oncc2c1 62a_200015260668_100009817723 [0,1,0,0,0,0|3,0,0]=4 465 B14R2.991 OCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000211926 [0,1,0,0,0,0|2,0,1]=4 466 B14R2.991 OCCNc1ccc2c(c1)CCO2 34a_100000736984_100000211926 [0,1,0,0,0,0|2,0,1]=4 467 B14R2.991 OCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000211926 [0,1,0,0,0,0|1,0,1]=3 468 B14R2.991 OCCNc1ccc2c(c1)OCO2 34a_100000209953_100000211926 [0,1,0,0,0,0|1,0,1]=3 469 B14R2.991 OCCOc1ccc2c(c1)OCO2 34a_100000210298_100000211926 [0,1,0,0,0,0|1,0,1]=3 470 B14R2.991 OCCSc1ccc2c(c1)CCO2 62a_100000211926_100000729065 [0,1,0,0,0,0|2,0,1]=4 471 B14R2.991 OCCSc1ccc2c(c1)CCO2 62a_100000729065_100000211926 [0,1,0,0,0,0|2,0,1]=4 472 B14R2.991 OCCSc1ccc2c(c1)OCC2 62a_100000211926_100009818566 [0,1,0,0,0,0|2,0,1]=4 473 B14R2.991 OCCSc1ccc2c(c1)OCC2 62a_100009818566_100000211926 [0,1,0,0,0,0|2,0,1]=4 474 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 2230a_100000204656_200025704644 [0,1,0,0,0,0|0,0,2]=3 475 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 34a_100000204656_200025704644 [0,1,0,0,0,0|0,0,2]=3 476 B14R2.991 [13CH3]OCCc1ccc2c(c1)CCO2 34a_100012161074_200025704644 [0,1,0,0,0,0|1,0,2]=4 477 B14R2.991 [13CH3]OCCc1ccc2c(c1)CCO2 7a_100012161074_200025704644 [0,1,0,0,0,0|1,0,2]=4 478 B14R2.991 [13CH3]OCCc1ccc2c(c1)OCO2 34a_100011934097_200025704644 [0,1,0,0,0,0|0,0,2]=3 479 B14R2.991 [13CH3]SCCc1ccc2c(c1)CCO2 62a_100000763274_200025704644 [0,1,0,0,0,0|1,0,2]=4 480 B14R2.991 [13CH3]SCCc1ccc2c(c1)CCO2 62a_200025704644_100000763274 [0,1,0,0,0,0|1,0,2]=4 481 B14R2.1008 CC(=Cc1ccc2c(c1)CCO2)C 271570a_100102525489_100000729065 [0,1,0,0,0,0|1,0,2]=4 482 B14R2.1008 CC(=Cc1ccc2c(c1)OCC2)C 271570a_100102525489_100009818566 [0,1,0,0,0,0|1,0,2]=4 483 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,1,0,0,0,0|0,0,2]=3 484 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,1,0,0,0,0|1,0,1]=3 485 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,1,0,0,0,0|0,0,1]=2 486 B14R2.1008 CC(=O)Cc1ccc2ncoc2c1 1458a_100000070787_106359897996 [0,1,0,0,0,0|1,0,2]=4 487 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,1,0,0,0,0|1,0,2]=4 488 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200000210301 [0,1,0,0,0,0|1,0,2]=4 489 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [0,1,0,0,0,0|2,0,1]=4 490 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [0,1,0,0,0,0|2,0,1]=4 491 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [0,1,0,0,0,0|2,0,1]=4 492 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [0,1,0,0,0,0|2,0,1]=4 493 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,1,0,0,0,0|1,0,1]=3 494 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,1,0,0,0,0|1,0,1]=3 495 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,1,0,0,0,0|1,0,1]=3 496 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,1,0,0,0,0|1,0,1]=3 497 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000210206 [0,1,0,0,0,0|1,0,2]=4 498 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100000210206 [0,1,0,0,0,0|1,0,2]=4 499 B14R2.1008 CC(C)Oc1ccc2c(c1)OCO2 34a_100000210298_100000210206 [0,1,0,0,0,0|1,0,2]=4 500 B14R2.1008 CN(C)Cc1ccc2c(c1)CCO2 270004a_100102631434_100011218456 [0,1,0,0,0,0|2,0,1]=4 501 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 2230a_100000186720_200000210301 [0,1,0,0,0,0|1,0,1]=3 502 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100000186720_200000210301 [0,1,0,0,0,0|1,0,1]=3 503 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100102631434_100000189651 [0,1,0,0,0,0|1,0,1]=3 504 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 2230a_100000186720_200025704644 [0,1,0,0,0,0|1,0,1]=3 505 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 269982a_100000186720_200025704644 [0,1,0,0,0,0|1,0,1]=3 506 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,1,0,0,0,0|1,0,1]=3 507 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,1,0,0,0,0|0,0,1]=2 508 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,1,0,0,0,0|1,0,2]=4 509 B14R2.1008 [13CH3]C(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200025704644 [0,1,0,0,0,0|1,0,2]=4 510 B14R2.6412 C=C=Cc1ccc2c(c1)OCC2=O 271570a_100015277604_100000686717 [0,1,0,0,0,0|1,0,2]=4 511 B14R2.6412 C=C=Cc1ccc2c(c1)OCC2N 271570a_100015277604_100020628175 [0,1,0,0,0,0|1,0,2]=4 512 B14R2.6412 CC=Cc1ccc2c(c1)OCC2=O 271570a_100016259895_100000686717 [0,1,0,0,0,0|1,0,2]=4 513 B14R2.6412 CC=Cc1ccc2c(c1)OCC2N 271570a_100016259895_100020628175 [0,1,0,0,0,0|1,0,2]=4 514 B14R2.6412 CNCc1ccc2c(c1)OCC2=O 26a_100102657272_100000216533 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.51 C=CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210623 [0,0,1,0,0,0|3,0,0]=4 516 B12R1.51 C=CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210623 [0,0,1,0,0,0|2,0,1]=4 517 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,0,1,0,0,0|1,0,2]=4 518 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,0,1,0,0,0|1,0,2]=4 519 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,0,1,0,0,0|3,0,0]=4 520 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,0,1,0,0,0|1,0,0]=2 521 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,0,1,0,0,0|1,0,0]=2 522 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,0,1,0,0,0|1,0,0]=2 523 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,0,1,0,0,0|1,0,0]=2 524 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,0,1,0,0,0|2,1,0]=4 525 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,0,1,0,0,0|2,1,0]=4 526 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,0,1,0,0,0|2,1,0]=4 527 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,0,1,0,0,0|2,1,0]=4 528 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,0,1,0,0,0|1,0,2]=4 529 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,0,1,0,0,0|1,0,2]=4 530 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,0,1,0,0,0|1,0,2]=4 531 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,0,1,0,0,0|1,0,2]=4 532 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,0,1,0,0,0|1,0,2]=4 533 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,0,1,0,0,0|1,0,2]=4 534 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,0,1,0,0,0|2,0,1]=4 535 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,0,1,0,0,0|2,0,1]=4 536 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,0,1,0,0,0|2,0,1]=4 537 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,0,1,0,0,0|2,0,1]=4 538 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,0,1,0,0,0|2,0,1]=4 539 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,0,1,0,0,0|2,0,1]=4 540 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,0,1,0,0,0|2,0,1]=4 541 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,0,1,0,0,0|2,0,1]=4 542 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,0,1,0,0,0|2,0,1]=4 543 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,0,1,0,0,0|2,0,1]=4 544 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,0,1,0,0,0|2,0,1]=4 545 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,0,1,0,0,0|2,0,1]=4 546 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,0,1,0,0,0|2,0,1]=4 547 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,0,1,0,0,0|2,0,1]=4 548 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,0,1,0,0,0|2,0,1]=4 549 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,0,1,0,0,0|2,0,1]=4 550 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,0,1,0,0,0|2,0,1]=4 551 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,0,1,0,0,0|2,0,1]=4 552 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,0,1,0,0,0|2,0,1]=4 553 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,0,1,0,0,0|2,0,1]=4 554 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,0,1,0,0,0|2,1,0]=4 555 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,0,1,0,0,0|2,1,0]=4 556 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,0,1,0,0,0|2,0,1]=4 557 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,0,1,0,0,0|2,0,1]=4 558 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,0,1,0,0,0|2,0,1]=4 559 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,0,1,0,0,0|2,0,1]=4 560 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,0,1,0,0,0|2,0,1]=4 561 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,0,1,0,0,0|2,0,1]=4 562 B12R1.116 N#CCc1ccc(cc1)OCF 34a_100000198970_100015361967 [0,0,1,0,0,0|2,0,1]=4 563 B12R1.116 N#CCc1ccc(cc1)OCF 7a_100000198970_100015361967 [0,0,1,0,0,0|2,0,1]=4 564 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,0,1,0,0,0|2,0,1]=4 565 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,0,1,0,0,0|2,1,0]=4 566 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,0,1,0,0,0|2,1,0]=4 567 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,0,1,0,0,0|2,0,1]=4 568 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,0,1,0,0,0|2,0,1]=4 569 B12R1.278 C=C=Cc1cccc(c1)CC=C 271570a_100015277604_100009816576 [0,0,1,0,0,0|2,0,1]=4 570 B12R1.278 C=C=Cc1cccc(c1)CCO 271570a_100015277604_100011217444 [0,0,1,0,0,0|1,0,2]=4 571 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [0,0,1,0,0,0|1,0,2]=4 572 B12R1.278 C=CCc1cccc(c1)C=CC 271570a_100016259895_100009816576 [0,0,1,0,0,0|2,0,1]=4 573 B12R1.278 C=CCc1cccc(c1)SCC 62a_100000210202_100009816576 [0,0,1,0,0,0|1,1,0]=3 574 B12R1.278 C=CCc1cccc(c1)SCC 62a_100009816576_100000210202 [0,0,1,0,0,0|1,1,0]=3 575 B12R1.278 C=CCc1cccc(c1)SCF 62a_100009816576_100015361967 [0,0,1,0,0,0|1,1,0]=3 576 B12R1.278 C=CCc1cccc(c1)SCF 62a_100015361967_100009816576 [0,0,1,0,0,0|1,1,0]=3 577 B12R1.278 CC=Cc1cccc(c1)CCO 271570a_100016259895_100011217444 [0,0,1,0,0,0|1,0,2]=4 578 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [0,0,1,0,0,0|1,0,2]=4 579 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [0,0,1,0,0,0|1,0,2]=4 580 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [0,0,1,0,0,0|1,0,2]=4 581 B12R1.278 CCCc1cccc(c1)OCF 34a_100000039106_100015361967 [0,0,1,0,0,0|1,0,2]=4 582 B12R1.278 CCCc1cccc(c1)OCF 7a_100000039106_100015361967 [0,0,1,0,0,0|1,0,2]=4 583 B12R1.278 CCOc1cccc(c1)CC#N 7a_100000696680_100000210202 [0,0,1,0,0,0|2,0,1]=4 584 B12R1.278 CCOc1cccc(c1)CCN 34a_100000747277_100000210202 [0,0,1,0,0,0|2,0,1]=4 585 B12R1.278 CCOc1cccc(c1)CCO 34a_100011215281_100000210202 [0,0,1,0,0,0|2,0,1]=4 586 B12R1.278 CCOc1cccc(c1)CCO 7a_100011215281_100000210202 [0,0,1,0,0,0|2,0,1]=4 587 B12R1.278 CCOc1cccc(c1)CNC 207a_100102657272_100000170239 [0,0,1,0,0,0|2,0,1]=4 588 B12R1.278 CCOc1cccc(c1)CNC 2230a_106359896916_200000210301 [0,0,1,0,0,0|2,0,1]=4 589 B12R1.278 CCOc1cccc(c1)CNC 270004a_106832991635_100000170239 [0,0,1,0,0,0|2,0,1]=4 590 B12R1.278 CCOc1cccc(c1)CNC 34a_100000207540_100000210202 [0,0,1,0,0,0|2,0,1]=4 591 B12R1.278 CCOc1cccc(c1)CNC 34a_106359896916_200000210301 [0,0,1,0,0,0|2,0,1]=4 592 B12R1.278 CCOc1cccc(c1)CNN 34a_100000008902_100000210202 [0,0,1,0,0,0|3,0,0]=4 593 B12R1.278 CCOc1cccc(c1)CN[13CH3] 2230a_106359896916_200025704644 [0,0,1,0,0,0|2,0,1]=4 594 B12R1.278 CCOc1cccc(c1)CN[13CH3] 34a_106359896916_200025704644 [0,0,1,0,0,0|2,0,1]=4 595 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [0,0,1,0,0,0|2,0,1]=4 596 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [0,0,1,0,0,0|2,0,1]=4 597 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [0,0,1,0,0,0|2,0,1]=4 598 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [0,0,1,0,0,0|2,0,1]=4 599 B12R1.278 CCSc1cccc(c1)CC=O 62a_100000210202_200000698211 [0,0,1,0,0,0|2,1,0]=4 600 B12R1.278 CCSc1cccc(c1)CC=O 62a_200000698211_100000210202 [0,0,1,0,0,0|2,1,0]=4 601 B12R1.278 CNCc1cccc(c1)CCO 26a_100102657272_100011215281 [0,0,1,0,0,0|2,0,1]=4 602 B12R1.278 CNCc1cccc(c1)OCF 34a_100000207540_100015361967 [0,0,1,0,0,0|2,0,1]=4 603 B12R1.278 N#CCc1cccc(c1)OCF 7a_100000696680_100015361967 [0,0,1,0,0,0|2,0,1]=4 604 B12R1.278 NCCc1cccc(c1)OCF 34a_100000747277_100015361967 [0,0,1,0,0,0|2,0,1]=4 605 B12R1.278 NNCc1cccc(c1)OCF 34a_100000008902_100015361967 [0,0,1,0,0,0|3,0,0]=4 606 B12R1.278 O=CCc1cccc(c1)SCF 62a_100015361967_200000698211 [0,0,1,0,0,0|2,1,0]=4 607 B12R1.278 O=CCc1cccc(c1)SCF 62a_200000698211_100015361967 [0,0,1,0,0,0|2,1,0]=4 608 B12R1.278 OCCc1cccc(c1)OCF 34a_100011215281_100015361967 [0,0,1,0,0,0|2,0,1]=4 609 B12R1.278 OCCc1cccc(c1)OCF 7a_100011215281_100015361967 [0,0,1,0,0,0|2,0,1]=4 610 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,0,1,0,0,0|1,0,2]=4 611 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,0,1,0,0,0|1,0,2]=4 612 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,0,1,0,0,0|1,0,2]=4 613 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,0,1,0,0,0|1,0,2]=4 614 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,0,1,0,0,0|1,0,2]=4 615 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,0,1,0,0,0|1,0,2]=4 616 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,0,1,0,0,0|0,0,2]=3 617 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,0,1,0,0,0|1,0,2]=4 618 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,0,1,0,0,0|1,0,2]=4 619 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,0,1,0,0,0|1,0,2]=4 620 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,0,1,0,0,0|1,0,2]=4 621 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,0,1,0,0,0|1,0,2]=4 622 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,0,1,0,0,0|1,0,2]=4 623 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,0,1,0,0,0|1,0,2]=4 624 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,0,1,0,0,0|0,0,2]=3 625 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,0,1,0,0,0|1,0,2]=4 626 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,0,1,0,0,0|1,0,2]=4 627 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,0,1,0,0,0|1,0,2]=4 628 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,0,1,0,0,0|2,0,1]=4 629 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,0,1,0,0,0|2,0,1]=4 630 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,0,1,0,0,0|2,0,1]=4 631 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,0,1,0,0,0|2,0,1]=4 632 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,0,1,0,0,0|2,0,1]=4 633 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,0,1,0,0,0|2,0,1]=4 634 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,0,1,0,0,0|2,0,1]=4 635 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,0,1,0,0,0|2,0,1]=4 636 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,0,1,0,0,0|2,0,1]=4 637 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,0,1,0,0,0|2,0,1]=4 638 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,0,1,0,0,0|2,0,1]=4 639 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,0,1,0,0,0|2,0,1]=4 640 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,0,1,0,0,0|2,0,1]=4 641 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,0,1,0,0,0|2,0,1]=4 642 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,0,1,0,0,0|2,0,1]=4 643 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,0,1,0,0,0|2,0,1]=4 644 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,0,1,0,0,0|2,0,1]=4 645 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,0,1,0,0,0|2,0,1]=4 646 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,0,1,0,0,0|2,0,1]=4 647 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,0,1,0,0,0|2,0,1]=4 648 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,0,1,0,0,0|2,0,1]=4 649 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,0,1,0,0,0|2,0,1]=4 650 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,0,1,0,0,0|2,0,1]=4 651 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,0,1,0,0,0|1,0,1]=3 652 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,0,1,0,0,0|2,0,1]=4 653 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,0,1,0,0,0|2,0,1]=4 654 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,0,1,0,0,0|2,0,1]=4 655 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,0,1,0,0,0|2,0,1]=4 656 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,0,1,0,0,0|2,0,1]=4 657 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,0,1,0,0,0|2,0,1]=4 658 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,0,1,0,0,0|2,0,1]=4 659 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,0,1,0,0,0|2,0,1]=4 660 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,0,1,0,0,0|2,0,1]=4 661 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,0,1,0,0,0|2,0,1]=4 662 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,0,1,0,0,0|2,0,1]=4 663 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,0,1,0,0,0|2,0,1]=4 664 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,0,1,0,0,0|2,0,1]=4 665 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,0,1,0,0,0|2,0,1]=4 666 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,0,1,0,0,0|2,0,1]=4 667 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,0,1,0,0,0|2,0,1]=4 668 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,0,1,0,0,0|2,0,1]=4 669 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,0,1,0,0,0|2,0,1]=4 670 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,0,1,0,0,0|2,0,1]=4 671 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,0,1,0,0,0|2,0,1]=4 672 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,0,1,0,0,0|2,0,1]=4 673 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,0,1,0,0,0|2,0,1]=4 674 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,0,1,0,0,0|2,0,1]=4 675 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,0,1,0,0,0|2,0,1]=4 676 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,0,1,0,0,0|2,0,1]=4 677 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,0,1,0,0,0|2,0,1]=4 678 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,0,1,0,0,0|2,0,1]=4 679 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,0,1,0,0,0|2,0,1]=4 680 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,0,1,0,0,0|2,0,1]=4 681 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,0,1,0,0,0|2,0,1]=4 682 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,0,1,0,0,0|2,0,1]=4 683 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,0,1,0,0,0|2,0,1]=4 684 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,0,1,0,0,0|2,0,1]=4 685 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,0,1,0,0,0|2,0,1]=4 686 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,0,1,0,0,0|2,0,1]=4 687 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,0,1,0,0,0|1,0,1]=3 688 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,0,1,0,0,0|1,0,1]=3 689 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,0,1,0,0,0|2,0,1]=4 690 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,0,1,0,0,0|2,0,1]=4 691 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [0,0,1,0,0,0|1,0,2]=4 692 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [0,0,1,0,0,0|1,0,2]=4 693 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [0,0,1,0,0,0|1,0,2]=4 694 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [0,0,1,0,0,0|1,0,2]=4 695 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [0,0,1,0,0,0|1,0,2]=4 696 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [0,0,1,0,0,0|1,0,2]=4 697 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [0,0,1,0,0,0|0,0,2]=3 698 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [0,0,1,0,0,0|1,0,2]=4 699 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [0,0,1,0,0,0|1,0,2]=4 700 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,0,1,0,0,0|1,0,2]=4 701 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,0,1,0,0,0|1,0,2]=4 702 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,0,1,0,0,0|1,0,2]=4 703 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,0,1,0,0,0|1,0,2]=4 704 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,0,1,0,0,0|1,0,2]=4 705 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,0,1,0,0,0|0,0,2]=3 706 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [0,0,1,0,0,0|1,0,2]=4 707 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [0,0,1,0,0,0|1,0,2]=4 708 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [0,0,1,0,0,0|1,0,2]=4 709 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,0,1,0,0,0|2,0,1]=4 710 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,0,1,0,0,0|2,0,1]=4 711 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,0,1,0,0,0|2,0,1]=4 712 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,0,1,0,0,0|2,0,1]=4 713 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,0,1,0,0,0|2,0,1]=4 714 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,0,1,0,0,0|2,0,1]=4 715 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,0,1,0,0,0|2,0,1]=4 716 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,0,1,0,0,0|2,0,1]=4 717 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,0,1,0,0,0|2,0,1]=4 718 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,0,1,0,0,0|2,0,1]=4 719 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,0,1,0,0,0|2,0,1]=4 720 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,0,1,0,0,0|2,0,1]=4 721 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,0,1,0,0,0|2,0,1]=4 722 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,0,1,0,0,0|2,0,1]=4 723 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,0,1,0,0,0|2,0,1]=4 724 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,0,1,0,0,0|2,0,1]=4 725 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,0,1,0,0,0|2,0,1]=4 726 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,0,1,0,0,0|2,0,1]=4 727 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,0,1,0,0,0|2,0,1]=4 728 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,0,1,0,0,0|2,0,1]=4 729 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,0,1,0,0,0|2,0,1]=4 730 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,0,1,0,0,0|2,0,1]=4 731 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,0,1,0,0,0|2,0,1]=4 732 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,0,1,0,0,0|2,0,1]=4 733 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,0,1,0,0,0|2,0,1]=4 734 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,0,1,0,0,0|2,0,1]=4 735 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,0,1,0,0,0|2,0,1]=4 736 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,0,1,0,0,0|2,0,1]=4 737 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,0,1,0,0,0|2,0,1]=4 738 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,0,1,0,0,0|2,0,1]=4 739 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,0,1,0,0,0|2,0,1]=4 740 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,0,1,0,0,0|1,0,1]=3 741 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,0,1,0,0,0|2,0,1]=4 742 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,0,1,0,0,0|2,0,1]=4 743 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,0,1,0,0,0|2,0,1]=4 744 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,0,1,0,0,0|2,0,1]=4 745 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,0,1,0,0,0|2,0,1]=4 746 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,0,1,0,0,0|2,0,1]=4 747 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,0,1,0,0,0|2,0,1]=4 748 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,0,1,0,0,0|2,0,1]=4 749 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,0,1,0,0,0|2,0,1]=4 750 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,0,1,0,0,0|2,0,1]=4 751 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,0,1,0,0,0|2,0,1]=4 752 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,0,1,0,0,0|2,0,1]=4 753 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,0,1,0,0,0|2,0,1]=4 754 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,0,1,0,0,0|2,0,1]=4 755 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,0,1,0,0,0|2,0,1]=4 756 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,0,1,0,0,0|2,0,1]=4 757 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,0,1,0,0,0|2,0,1]=4 758 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,0,1,0,0,0|2,0,1]=4 759 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,0,1,0,0,0|2,0,1]=4 760 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,0,1,0,0,0|2,0,1]=4 761 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,0,1,0,0,0|2,0,1]=4 762 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,0,1,0,0,0|2,0,1]=4 763 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,0,1,0,0,0|2,0,1]=4 764 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,0,1,0,0,0|2,0,1]=4 765 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,0,1,0,0,0|2,0,1]=4 766 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,0,1,0,0,0|2,0,1]=4 767 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,0,1,0,0,0|2,0,1]=4 768 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,0,1,0,0,0|2,0,1]=4 769 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,0,1,0,0,0|2,0,1]=4 770 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,0,1,0,0,0|2,0,1]=4 771 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,0,1,0,0,0|2,0,1]=4 772 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,0,1,0,0,0|2,0,1]=4 773 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,0,1,0,0,0|2,0,1]=4 774 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,0,1,0,0,0|2,0,1]=4 775 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,0,1,0,0,0|2,0,1]=4 776 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,0,1,0,0,0|2,0,1]=4 777 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,0,1,0,0,0|2,0,1]=4 778 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,0,1,0,0,0|2,0,1]=4 779 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,0,1,0,0,0|2,0,1]=4 780 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,0,1,0,0,0|2,0,1]=4 781 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,0,1,0,0,0|2,0,1]=4 782 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,0,1,0,0,0|2,0,1]=4 783 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,0,1,0,0,0|2,0,1]=4 784 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,0,1,0,0,0|2,0,1]=4 785 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,0,1,0,0,0|2,0,1]=4 786 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,0,1,0,0,0|2,0,1]=4 787 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,0,1,0,0,0|2,0,1]=4 788 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,0,1,0,0,0|2,0,1]=4 789 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,0,1,0,0,0|2,0,1]=4 790 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [0,0,1,0,0,0|1,0,1]=3 791 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,0,1,0,0,0|1,0,1]=3 792 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,0,1,0,0,0|1,0,1]=3 793 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,0,1,0,0,0|1,0,1]=3 794 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [0,0,1,0,0,0|2,0,1]=4 795 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [0,0,1,0,0,0|2,0,1]=4 796 B14R3.3015 c1cc2c(cc1C3CC3)CCO2 271570a_100011220607_100000729065 [0,0,0,1,0,0|1,0,2]=4 797 B14R3.3015 c1cc2c(cc1C3CC3)OCC2 271570a_100011220607_100009818566 [0,0,0,1,0,0|1,0,2]=4 798 B14R3.3015 c1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100000688060 [0,0,0,1,0,0|0,0,2]=3 799 B12R2.143 C=C=Cc1ccc2c(c1)CC2 271570a_100015277604_100009818592 [0,0,0,0,1,0|1,0,2]=4 800 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,0,0,0,1,0|1,0,2]=4 801 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,0,0,0,1,0|2,0,1]=4 802 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,0,0,0,1,0|2,0,1]=4 803 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,0,0,0,1,0|2,0,1]=4 804 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,0,0,0,1,0|2,0,1]=4 805 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,0,0,0,1,0|2,0,1]=4 806 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,0,0,0,1,0|2,0,1]=4 807 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,0,0,0,0,1|1,0,2]=4 808 B14R2.112 C=C=Cc1ccc2c(c1)COCC2 271570a_100015277604_100010128096 [0,0,0,0,0,1|1,0,2]=4 809 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,0,0,0,0,1|1,0,2]=4 810 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,0,0,0,0,1|1,0,2]=4 811 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,0,0,0,0,1|1,0,2]=4 812 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,0,0,0,0,1|0,0,2]=3 813 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,0,0,0,0,1|1,0,2]=4 814 B14R2.112 CC=Cc1ccc2c(c1)COCC2 271570a_100016259895_100010128096 [0,0,0,0,0,1|1,0,2]=4 815 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,0,0,0,0,1|1,0,2]=4 816 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,0,0,0,0,1|1,0,2]=4 817 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,0,0,0,0,1|1,0,2]=4 818 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,0,0,0,0,1|0,0,2]=3 819 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,0,0,0,0,1|1,0,2]=4 820 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,0,0,0,0,1|1,0,2]=4 821 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,0,0,0,0,1|1,0,2]=4 822 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,0,0,0,0,1|1,0,2]=4 823 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,0,0,0,0,1|1,0,2]=4 824 B14R2.112 CNCc1ccc2c(c1)CCCO2 207a_100102657272_100011934692 [0,0,0,0,0,1|2,0,1]=4 825 B14R2.112 CNCc1ccc2c(c1)CCCO2 270004a_106832991635_100011934692 [0,0,0,0,0,1|2,0,1]=4 826 B14R2.112 CNCc1ccc2c(c1)CCOC2 26a_100102657272_100009841951 [0,0,0,0,0,1|2,0,1]=4 827 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,0,0,0,0,1|1,0,1]=3 828 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,0,0,0,0,1|1,0,1]=3 829 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,0,0,0,0,1|1,0,1]=3 830 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,0,0,0,0,1|1,0,1]=3 831 B14R2.112 CNCc1ccc2c(n1)OCCO2 207a_100102657272_100009856165 [0,0,0,0,0,1|2,0,1]=4 832 B14R2.112 CNCc1ccc2c(n1)OCCO2 270004a_106832991635_100009856165 [0,0,0,0,0,1|2,0,1]=4 833 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,0,0,0,0,1|1,0,1]=3 834 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,0,0,0,0,1|2,0,1]=4 835 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,0,0,0,0,1|2,0,1]=4 836 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,0,0,0,0,1|2,0,1]=4 837 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,0,0,0,0,1|2,0,1]=4 838 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,0,0,0,0,1|1,0,1]=3 839 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,0,0,0,0,1|1,0,1]=3 840 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,0,0,0,0,1|1,0,1]=3 841 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [1,0,1,0,0,0|0,0,2]=4 842 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,0,1,0,0,0|0,0,2]=4 843 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,0,1,0,0,0|0,0,0]=2 844 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,0,1,0,0,0|0,0,0]=2 845 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,0,1,0,0,0|0,0,0]=2 846 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,0,1,0,0,0|0,0,0]=2 847 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,0,1,0,0,0|1,1,0]=4 848 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,0,1,0,0,0|1,1,0]=4 849 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,0,1,0,0,0|1,1,0]=4 850 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,0,1,0,0,0|1,1,0]=4 851 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,0,1,0,0,0|2,0,0]=4 852 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,0,1,0,0,0|2,0,0]=4 853 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,0,1,0,0,0|1,0,0]=3 854 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,0,1,0,0,0|2,0,0]=4 855 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,0,1,0,0,0|2,0,0]=4 856 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [1,0,1,0,0,0|2,0,0]=4 857 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,0,1,0,0,0|1,0,0]=3 858 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,0,1,0,0,0|1,0,0]=3 859 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,0,1,0,0,0|1,0,0]=3 860 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,0,1,0,0,0|1,0,0]=3 861 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,0,1,0,0,0|1,0,0]=3 862 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,0,1,0,0,0|1,1,0]=4 863 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,0,1,0,0,0|1,1,0]=4 864 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,0,1,0,0,0|1,1,0]=4 865 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [1,0,1,0,0,0|1,1,0]=4 866 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [1,0,1,0,0,0|1,1,0]=4 867 B11R1.83 C=Cc1ccc(cn1)CCO 271570a_100011290941_100009880866 [1,0,1,0,0,0|2,0,0]=4 868 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [1,0,1,0,0,0|2,0,0]=4 869 B11R1.83 C=Cc1ccc(nc1)CCO 271570a_100011290941_100012357577 [1,0,1,0,0,0|2,0,0]=4 870 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [1,0,1,0,0,0|2,0,0]=4 871 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,0,1,0,0,0|0,0,2]=4 872 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,0,1,0,0,0|0,0,2]=4 873 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,0,1,0,0,0|0,0,2]=4 874 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,0,1,0,0,0|0,0,2]=4 875 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,0,1,0,0,0|0,0,2]=4 876 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,0,1,0,0,0|0,0,2]=4 877 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,0,1,0,0,0|1,0,1]=4 878 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,0,1,0,0,0|1,0,1]=4 879 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,0,1,0,0,0|2,0,0]=4 880 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,0,1,0,0,0|2,0,0]=4 881 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,0,1,0,0,0|1,0,1]=4 882 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,0,1,0,0,0|1,0,1]=4 883 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,0,1,0,0,0|1,0,1]=4 884 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,0,1,0,0,0|1,0,1]=4 885 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,0,1,0,0,0|1,0,1]=4 886 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,0,1,0,0,0|1,0,1]=4 887 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,0,1,0,0,0|1,0,1]=4 888 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,0,1,0,0,0|1,0,1]=4 889 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,0,1,0,0,0|1,0,1]=4 890 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,0,1,0,0,0|1,0,1]=4 891 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,0,1,0,0,0|1,0,1]=4 892 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,0,1,0,0,0|1,0,1]=4 893 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,0,1,0,0,0|1,0,1]=4 894 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,0,1,0,0,0|1,0,1]=4 895 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,0,1,0,0,0|1,0,1]=4 896 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,0,1,0,0,0|1,0,1]=4 897 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,0,1,0,0,0|1,0,1]=4 898 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,0,1,0,0,0|1,0,1]=4 899 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,0,1,0,0,0|1,0,1]=4 900 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,0,1,0,0,0|1,0,1]=4 901 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,0,1,0,0,0|1,0,1]=4 902 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,0,1,0,0,0|1,0,1]=4 903 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,0,1,0,0,0|1,0,1]=4 904 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,0,1,0,0,0|1,0,1]=4 905 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,0,1,0,0,0|1,0,1]=4 906 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,0,1,0,0,0|1,0,1]=4 907 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,0,1,0,0,0|1,0,1]=4 908 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,0,1,0,0,0|1,0,1]=4 909 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,0,1,0,0,0|1,0,1]=4 910 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,0,1,0,0,0|1,0,1]=4 911 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,0,1,0,0,0|1,0,1]=4 912 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,0,1,0,0,0|1,0,1]=4 913 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,0,1,0,0,0|1,0,1]=4 914 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,0,1,0,0,0|1,0,1]=4 915 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,0,1,0,0,0|1,0,1]=4 916 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,0,1,0,0,0|1,0,1]=4 917 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,0,1,0,0,0|1,0,1]=4 918 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,0,1,0,0,0|1,0,1]=4 919 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,0,1,0,0,0|1,0,1]=4 920 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,0,1,0,0,0|1,1,0]=4 921 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,0,1,0,0,0|1,1,0]=4 922 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,0,1,0,0,0|2,0,0]=4 923 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,0,1,0,0,0|2,0,0]=4 924 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,0,1,0,0,0|1,0,1]=4 925 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,0,1,0,0,0|1,0,1]=4 926 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,0,1,0,0,0|1,0,1]=4 927 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,0,1,0,0,0|1,0,1]=4 928 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,0,1,0,0,0|1,0,1]=4 929 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,0,1,0,0,0|1,0,1]=4 930 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,0,1,0,0,0|1,0,1]=4 931 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,0,1,0,0,0|1,0,1]=4 932 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,0,1,0,0,0|1,0,1]=4 933 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,0,1,0,0,0|1,0,1]=4 934 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,0,1,0,0,0|1,0,1]=4 935 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,0,1,0,0,0|1,1,0]=4 936 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,0,1,0,0,0|1,1,0]=4 937 B11R1.189 C=C=Cc1cccc(c1)CO 271570a_100015277604_100000687537 [1,0,1,0,0,0|0,0,2]=4 938 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,0,1,0,0,0|0,0,2]=4 939 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [1,0,1,0,0,0|1,0,1]=4 940 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,0,1,0,0,0|0,1,0]=3 941 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,0,1,0,0,0|0,1,0]=3 942 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,0,1,0,0,0|0,1,0]=3 943 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,0,1,0,0,0|0,1,0]=3 944 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [1,0,1,0,0,0|2,0,0]=4 945 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,0,1,0,0,0|2,0,0]=4 946 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,0,1,0,0,0|2,0,0]=4 947 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,0,1,0,0,0|1,0,0]=3 948 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,0,1,0,0,0|2,0,0]=4 949 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,0,1,0,0,0|2,0,0]=4 950 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,0,1,0,0,0|2,0,0]=4 951 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,0,1,0,0,0|1,0,0]=3 952 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,0,1,0,0,0|1,0,0]=3 953 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,0,1,0,0,0|1,0,0]=3 954 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,0,1,0,0,0|1,0,0]=3 955 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,0,1,0,0,0|1,0,0]=3 956 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,0,1,0,0,0|1,1,0]=4 957 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,0,1,0,0,0|1,1,0]=4 958 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,0,1,0,0,0|1,1,0]=4 959 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,0,1,0,0,0|1,1,0]=4 960 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,0,1,0,0,0|1,1,0]=4 961 B11R1.189 C=Cc1cccc(n1)CCO 271570a_100011290941_100010221043 [1,0,1,0,0,0|2,0,0]=4 962 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [1,0,1,0,0,0|2,0,0]=4 963 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [1,0,1,0,0,0|2,0,0]=4 964 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [1,0,1,0,0,0|2,0,0]=4 965 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,0,1,0,0,0|0,0,2]=4 966 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,0,1,0,0,0|0,0,2]=4 967 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,0,1,0,0,0|0,0,2]=4 968 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,0,1,0,0,0|0,0,2]=4 969 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,0,1,0,0,0|0,0,2]=4 970 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,0,1,0,0,0|0,0,2]=4 971 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,0,1,0,0,0|2,0,0]=4 972 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,0,1,0,0,0|2,0,0]=4 973 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,0,1,0,0,0|1,0,1]=4 974 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,0,1,0,0,0|1,0,1]=4 975 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,0,1,0,0,0|2,0,0]=4 976 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,0,1,0,0,0|2,0,0]=4 977 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,0,1,0,0,0|2,0,0]=4 978 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,0,1,0,0,0|2,0,0]=4 979 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,0,1,0,0,0|2,0,0]=4 980 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,0,1,0,0,0|1,0,1]=4 981 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,0,1,0,0,0|1,0,1]=4 982 B11R1.189 CNCc1cccc(c1)CO 207a_100102657272_200000050894 [1,0,1,0,0,0|1,0,1]=4 983 B11R1.189 CNCc1cccc(c1)CO 2230a_100011269909_200000210301 [1,0,1,0,0,0|1,0,1]=4 984 B11R1.189 CNCc1cccc(c1)CO 2230a_106832991635_100010188025 [1,0,1,0,0,0|1,0,1]=4 985 B11R1.189 CNCc1cccc(c1)CO 26a_100102657272_100011214949 [1,0,1,0,0,0|1,0,1]=4 986 B11R1.189 CNCc1cccc(c1)CO 270004a_106832991635_200000050894 [1,0,1,0,0,0|1,0,1]=4 987 B11R1.189 CNCc1cccc(c1)CO 34a_100011269909_200000210301 [1,0,1,0,0,0|1,0,1]=4 988 B11R1.189 CNCc1cccc(c1)CO 34a_100102657272_100010188025 [1,0,1,0,0,0|1,0,1]=4 989 B11R1.189 CNCc1cccc(c1)CO 7a_106832991635_100010188025 [1,0,1,0,0,0|1,0,1]=4 990 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,0,1,0,0,0|1,0,1]=4 991 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,0,1,0,0,0|1,0,1]=4 992 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,0,1,0,0,0|1,0,1]=4 993 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,0,1,0,0,0|1,0,1]=4 994 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,0,1,0,0,0|1,0,1]=4 995 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,0,1,0,0,0|1,0,1]=4 996 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,0,1,0,0,0|1,0,1]=4 997 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,0,1,0,0,0|1,0,1]=4 998 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,0,1,0,0,0|1,0,1]=4 999 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,0,1,0,0,0|1,0,1]=4 1000 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,0,1,0,0,0|1,0,1]=4 1001 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,0,1,0,0,0|1,0,1]=4 1002 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,0,1,0,0,0|1,0,1]=4 1003 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,0,1,0,0,0|1,0,1]=4 1004 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,0,1,0,0,0|1,0,1]=4 1005 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,0,1,0,0,0|1,0,1]=4 1006 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,0,1,0,0,0|1,0,1]=4 1007 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,0,1,0,0,0|2,0,0]=4 1008 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1009 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1010 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,0,1,0,0,0|1,0,1]=4 1011 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,0,1,0,0,0|1,0,1]=4 1012 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,0,1,0,0,0|1,0,1]=4 1013 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,0,1,0,0,0|1,0,1]=4 1014 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,0,1,0,0,0|1,0,1]=4 1015 B11R1.189 CSCc1cccc(c1)CO 62a_100010188025_200000210301 [1,0,1,0,0,0|1,0,1]=4 1016 B11R1.189 CSCc1cccc(c1)CO 62a_200000210301_100010188025 [1,0,1,0,0,0|1,0,1]=4 1017 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,0,1,0,0,0|1,1,0]=4 1018 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,0,1,0,0,0|1,1,0]=4 1019 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,0,1,0,0,0|2,0,0]=4 1020 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,0,1,0,0,0|2,0,0]=4 1021 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,0,1,0,0,0|2,0,0]=4 1022 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,0,1,0,0,0|2,0,0]=4 1023 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,0,1,0,0,0|2,0,0]=4 1024 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,0,1,0,0,0|2,0,0]=4 1025 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,0,1,0,0,0|2,0,0]=4 1026 B11R1.189 [13CH3]NCc1cccc(c1)CO 2230a_100011269909_200025704644 [1,0,1,0,0,0|1,0,1]=4 1027 B11R1.189 [13CH3]NCc1cccc(c1)CO 34a_100011269909_200025704644 [1,0,1,0,0,0|1,0,1]=4 1028 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,0,1,0,0,0|1,0,1]=4 1029 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,0,1,0,0,0|1,0,1]=4 1030 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,0,1,0,0,0|1,0,1]=4 1031 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,0,1,0,0,0|1,0,1]=4 1032 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,0,1,0,0,0|2,0,0]=4 1033 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_100010188025_200025704644 [1,0,1,0,0,0|1,0,1]=4 1034 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_200025704644_100010188025 [1,0,1,0,0,0|1,0,1]=4 1035 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,0,1,0,0,0|1,1,0]=4 1036 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,0,1,0,0,0|1,1,0]=4 1037 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,0,1,0,0,0|0,0,2]=4 1038 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,0,1,0,0,0|0,0,2]=4 1039 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,0,1,0,0,0|0,0,2]=4 1040 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,0,1,0,0,0|0,0,2]=4 1041 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,0,1,0,0,0|0,0,2]=4 1042 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,0,1,0,0,0|0,0,2]=4 1043 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,0,1,0,0,0|1,0,1]=4 1044 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,0,1,0,0,0|1,0,1]=4 1045 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,0,1,0,0,0|1,0,1]=4 1046 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,0,1,0,0,0|1,0,1]=4 1047 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,1,0,0,0|1,0,1]=4 1048 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,1,0,0,0|2,0,0]=4 1049 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,1,0,0,0|2,0,0]=4 1050 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,1,0,0,0|2,0,0]=4 1051 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,1,0,0,0|2,0,0]=4 1052 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,1,0,0,0|2,0,0]=4 1053 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,1,0,0,0|2,0,0]=4 1054 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,1,0,0,0|2,0,0]=4 1055 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,1,0,0,0|2,0,0]=4 1056 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,1,0,0,0|1,0,0]=3 1057 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,1,0,0,0|2,0,0]=4 1058 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,1,0,0,0|2,0,0]=4 1059 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,1,0,0,0|2,0,0]=4 1060 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,1,0,0,0|2,0,0]=4 1061 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,1,0,0,0|2,0,0]=4 1062 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,1,0,0,0|1,0,0]=3 1063 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,1,0,0,0|1,0,0]=3 1064 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,1,0,0,0|1,0,0]=3 1065 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,1,0,0,0|1,0,0]=3 1066 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,1,0,0,0|1,0,0]=3 1067 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,1,0,0,0|0,0,0]=2 1068 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,1,0,0,0|1,1,0]=4 1069 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,1,0,0,0|2,0,0]=4 1070 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,1,0,0,0|1,0,0]=3 1071 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,1,0,0,0|2,0,0]=4 1072 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,1,0,0,0|2,0,0]=4 1073 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,1,0,0,0|2,0,0]=4 1074 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,1,0,0,0|2,0,0]=4 1075 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,1,0,0,0|1,0,1]=4 1076 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,1,0,0,0|1,0,1]=4 1077 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,1,0,0,0|1,0,1]=4 1078 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,1,0,0,0|1,0,1]=4 1079 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,1,0,0,0|0,0,1]=3 1080 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,1,0,0,0|1,0,1]=4 1081 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,1,0,0,0|1,0,1]=4 1082 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,1,0,0,0|0,1,1]=4 1083 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,1,0,0,0|0,1,1]=4 1084 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,1,0,0,0|0,1,1]=4 1085 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,1,0,0,0|0,1,1]=4 1086 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,1,0,0,0|2,0,0]=4 1087 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,1,0,0,0|1,0,1]=4 1088 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1089 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1090 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,1,0,0,0|2,0,0]=4 1091 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,1,0,0,0|2,0,0]=4 1092 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,1,0,0,0|2,0,0]=4 1093 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,1,0,0,0|2,0,0]=4 1094 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,1,0,0,0|2,0,0]=4 1095 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,1,0,0,0|2,0,0]=4 1096 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,1,0,0,0|2,0,0]=4 1097 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,1,0,0,0|2,0,0]=4 1098 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,1,0,0,0|1,0,1]=4 1099 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,1,0,0,0|1,0,0]=3 1100 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,1,0,0,0|1,0,0]=3 1101 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,1,0,0,0|1,0,1]=4 1102 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,1,0,0,0|1,0,1]=4 1103 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,1,0,0,0|1,0,1]=4 1104 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,1,0,0,0|2,0,0]=4 1105 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,1,0,0,0|1,0,1]=4 1106 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,1,0,0,0|1,1,0]=4 1107 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,1,0,0,0|1,1,0]=4 1108 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,1,0,0,0|1,1,0]=4 1109 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,1,0,0,0|1,1,0]=4 1110 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,1,0,0,0|2,0,0]=4 1111 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1112 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1113 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,1,0,0,0|2,0,0]=4 1114 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,1,0,0,0|2,0,0]=4 1115 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,1,0,0,0|2,0,0]=4 1116 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,1,0,0,0|2,0,0]=4 1117 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,1,0,0,0|2,0,0]=4 1118 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,1,0,0,0|2,0,0]=4 1119 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,1,0,0,0|2,0,0]=4 1120 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,1,0,0,0|2,0,0]=4 1121 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,1,0,0,0|1,1,0]=4 1122 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,1,0,0,0|1,1,0]=4 1123 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,1,0,0,0|1,1,0]=4 1124 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,1,0,0,0|1,1,0]=4 1125 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,0,1,0,0,0|2,0,0]=4 1126 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,0,1,0,0,0|1,0,0]=3 1127 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,0,1,0,0,0|1,0,0]=3 1128 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,0,1,0,0,0|2,0,0]=4 1129 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,0,1,0,0,0|1,0,0]=3 1130 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,0,1,0,0,0|1,0,0]=3 1131 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,0,1,0,0,0|1,1,0]=4 1132 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,0,1,0,0,0|2,0,0]=4 1133 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,0,1,0,0,0|2,0,0]=4 1134 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,0,1,0,0,0|1,0,0]=3 1135 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,0,1,0,0,0|1,1,0]=4 1136 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,0,1,0,0,0|2,0,0]=4 1137 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,0,1,0,0,0|2,0,0]=4 1138 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,0,1,0,0,0|1,0,0]=3 1139 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,0,1,0,0,0|2,0,0]=4 1140 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,0,1,0,0,0|2,0,0]=4 1141 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,0,1,0,0,0|2,0,0]=4 1142 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,0,1,0,0,0|0,0,0]=2 1143 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,0,1,0,0,0|2,0,0]=4 1144 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,0,1,0,0,0|2,0,0]=4 1145 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,0,1,0,0,0|2,0,0]=4 1146 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,0,1,0,0,0|2,0,0]=4 1147 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,0,1,0,0,0|2,0,0]=4 1148 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,0,1,0,0,0|2,0,0]=4 1149 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,0,1,0,0,0|2,0,0]=4 1150 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,0,1,0,0,0|2,0,0]=4 1151 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,0,1,0,0,0|2,0,0]=4 1152 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,0,1,0,0,0|1,0,0]=3 1153 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,0,1,0,0,0|1,0,1]=4 1154 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,0,1,0,0,0|1,0,1]=4 1155 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,0,1,0,0,0|1,0,1]=4 1156 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,0,1,0,0,0|1,0,1]=4 1157 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,0,1,0,0,0|1,0,1]=4 1158 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,0,1,0,0,0|1,0,1]=4 1159 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,0,1,0,0,0|1,0,1]=4 1160 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,0,1,0,0,0|1,0,1]=4 1161 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,0,1,0,0,0|1,0,1]=4 1162 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,0,1,0,0,0|1,0,1]=4 1163 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,0,1,0,0,0|0,0,1]=3 1164 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,0,1,0,0,0|1,0,1]=4 1165 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,0,1,0,0,0|1,0,1]=4 1166 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,0,1,0,0,0|2,0,0]=4 1167 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,0,1,0,0,0|1,0,1]=4 1168 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,0,1,0,0,0|2,0,0]=4 1169 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,0,1,0,0,0|2,0,0]=4 1170 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,0,1,0,0,0|2,0,0]=4 1171 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,0,1,0,0,0|2,0,0]=4 1172 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,0,1,0,0,0|2,0,0]=4 1173 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,0,1,0,0,0|2,0,0]=4 1174 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,0,1,0,0,0|1,0,1]=4 1175 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,0,1,0,0,0|1,0,0]=3 1176 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,0,1,0,0,0|1,0,0]=3 1177 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,0,1,0,0,0|1,0,0]=3 1178 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,0,1,0,0,0|1,0,1]=4 1179 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,0,1,0,0,0|1,0,1]=4 1180 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,0,1,0,0,0|1,0,1]=4 1181 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,0,1,0,0,0|2,0,0]=4 1182 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,0,1,0,0,0|2,0,0]=4 1183 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,0,1,0,0,0|2,0,0]=4 1184 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,0,1,0,0,0|2,0,0]=4 1185 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,0,1,0,0,0|1,1,0]=4 1186 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,0,1,0,0,0|1,1,0]=4 1187 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,0,1,0,0,0|1,1,0]=4 1188 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,0,1,0,0,0|1,1,0]=4 1189 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,0,1,0,0,0|2,0,0]=4 1190 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,0,1,0,0,0|2,0,0]=4 1191 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,0,1,0,0,0|2,0,0]=4 1192 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,0,1,0,0,0|2,0,0]=4 1193 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,0,1,0,0,0|2,0,0]=4 1194 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,0,1,0,0,0|2,0,0]=4 1195 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,0,1,0,0,0|1,1,0]=4 1196 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,0,1,0,0,0|1,1,0]=4 1197 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,0,1,0,0,0|1,1,0]=4 1198 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,0,1,0,0,0|1,1,0]=4 1199 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [2,0,0,0,0,0|2,0,0]=4 1200 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [2,0,0,0,0,0|2,0,0]=4 1201 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [2,0,0,0,0,0|1,0,0]=3 1202 B13R1.77 C#CCOc1ccc(cc1)CC=C 34a_100000078792_100000184674 [0,1,1,0,0,0|1,0,0]=3 1203 B13R1.77 C#CCOc1ccc(cc1)CC=C 7a_100000078792_100000038162 [0,1,1,0,0,0|1,0,0]=3 1204 B13R1.77 C=C=Cc1ccc(cc1)OCCO 271570a_100015277604_100000686261 [0,1,1,0,0,0|0,0,2]=4 1205 B13R1.77 C=C=Cc1ccc(cc1)OCOC 271570a_100015277604_100012265687 [0,1,1,0,0,0|0,0,2]=4 1206 B13R1.77 C=CCNc1ccc(cc1)CCC 2230a_100000211780_100000210623 [0,1,1,0,0,0|2,0,0]=4 1207 B13R1.77 C=CCNc1ccc(cc1)CCC 34a_100000211780_100015514636 [0,1,1,0,0,0|2,0,0]=4 1208 B13R1.77 C=CCNc1ccc(cc1)CCO 2230a_100011204434_100000210623 [0,1,1,0,0,0|1,0,0]=3 1209 B13R1.77 C=CCNc1ccc(cc1)CCO 34a_100011204434_100015514636 [0,1,1,0,0,0|1,0,0]=3 1210 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,1,1,0,0,0|1,0,0]=3 1211 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,1,1,0,0,0|1,0,0]=3 1212 B13R1.77 C=CCNc1ccc(cc1)SCC 34a_100015187087_100015514636 [0,1,1,0,0,0|1,1,0]=4 1213 B13R1.77 C=CCOc1ccc(cc1)CC=C 34a_100000078792_100015514636 [0,1,1,0,0,0|1,0,0]=3 1214 B13R1.77 C=CCOc1ccc(cc1)CC=C 7a_100000078792_100015514636 [0,1,1,0,0,0|1,0,0]=3 1215 B13R1.77 C=CCOc1ccc(cc1)CCBr 34a_100009816426_100015514636 [0,1,1,0,0,0|2,0,0]=4 1216 B13R1.77 C=CCOc1ccc(cc1)CCBr 7a_100009816426_100015514636 [0,1,1,0,0,0|2,0,0]=4 1217 B13R1.77 C=CCOc1ccc(cc1)CCC 34a_100000749406_100015514636 [0,1,1,0,0,0|2,0,0]=4 1218 B13R1.77 C=CCOc1ccc(cc1)CCC 7a_100000749406_100015514636 [0,1,1,0,0,0|2,0,0]=4 1219 B13R1.77 C=CCOc1ccc(cc1)CCN 34a_100000743037_100015514636 [0,1,1,0,0,0|2,0,0]=4 1220 B13R1.77 C=CCOc1ccc(cc1)CCO 34a_100011215338_100015514636 [0,1,1,0,0,0|1,0,0]=3 1221 B13R1.77 C=CCOc1ccc(cc1)CCO 7a_100011215338_100015514636 [0,1,1,0,0,0|1,0,0]=3 1222 B13R1.77 C=CCOc1ccc(cc1)NCC 34a_100011337800_100015514636 [0,1,1,0,0,0|2,0,0]=4 1223 B13R1.77 C=CCOc1ccc(cc1)NCC 7a_100011337800_100015514636 [0,1,1,0,0,0|2,0,0]=4 1224 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,1,1,0,0,0|1,0,0]=3 1225 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000172055_100000210202 [0,1,1,0,0,0|1,1,0]=4 1226 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000210202_100000172055 [0,1,1,0,0,0|1,1,0]=4 1227 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100000172055_100015361967 [0,1,1,0,0,0|1,1,0]=4 1228 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100015361967_100000172055 [0,1,1,0,0,0|1,1,0]=4 1229 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000210623_100000750032 [0,1,1,0,0,0|2,0,0]=4 1230 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000750032_100000210623 [0,1,1,0,0,0|2,0,0]=4 1231 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000210623_100000755846 [0,1,1,0,0,0|2,0,0]=4 1232 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000755846_100000210623 [0,1,1,0,0,0|2,0,0]=4 1233 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000210623_100000766406 [0,1,1,0,0,0|1,0,0]=3 1234 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000766406_100000210623 [0,1,1,0,0,0|1,0,0]=3 1235 B13R1.77 C=CCSc1ccc(cc1)NCC 62a_100000210623_100000219632 [0,1,1,0,0,0|2,0,0]=4 1236 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000210623_100000704263 [0,1,1,0,0,0|1,0,1]=4 1237 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000704263_100000210623 [0,1,1,0,0,0|1,0,1]=4 1238 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,1,1,0,0,0|1,0,0]=3 1239 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_100000210623_200009811893 [0,1,1,0,0,0|1,1,0]=4 1240 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_200009811893_100000210623 [0,1,1,0,0,0|1,1,0]=4 1241 B13R1.77 C=CCSc1ccc(cn1)CCO 62a_100000210623_100009880866 [0,1,1,0,0,0|2,0,0]=4 1242 B13R1.77 C=CCSc1ccc(cn1)CCO 62a_100009880866_100000210623 [0,1,1,0,0,0|2,0,0]=4 1243 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100000210623_100000753957 [0,1,1,0,0,0|2,0,0]=4 1244 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100012355646_100000210623 [0,1,1,0,0,0|2,0,0]=4 1245 B13R1.77 C=CCSc1ccc(nc1)CCO 62a_100000210623_100012357577 [0,1,1,0,0,0|2,0,0]=4 1246 B13R1.77 C=CCSc1ccc(nc1)CCO 62a_100012357577_100000210623 [0,1,1,0,0,0|2,0,0]=4 1247 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100000210623_100011219444 [0,1,1,0,0,0|2,0,0]=4 1248 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100011219444_100000210623 [0,1,1,0,0,0|2,0,0]=4 1249 B13R1.77 C=CCc1ccc(cc1)OCC#N 7a_100000078792_100011215382 [0,1,1,0,0,0|1,0,0]=3 1250 B13R1.77 C=CCc1ccc(cc1)OCC=O 34a_100000078792_200009817547 [0,1,1,0,0,0|0,0,1]=3 1251 B13R1.77 C=CCc1ccc(cc1)OCC=O 7a_100000078792_200015260668 [0,1,1,0,0,0|0,0,1]=3 1252 B13R1.77 C=CCc1ccc(cc1)OCCC 34a_100000078792_100000210303 [0,1,1,0,0,0|1,0,0]=3 1253 B13R1.77 C=CCc1ccc(cc1)OCCC 7a_100000078792_100000210303 [0,1,1,0,0,0|1,0,0]=3 1254 B13R1.77 C=CCc1ccc(cc1)OCCF 34a_100000078792_100011217306 [0,1,1,0,0,0|1,0,0]=3 1255 B13R1.77 C=CCc1ccc(cc1)OCCF 7a_100000078792_100011217306 [0,1,1,0,0,0|1,0,0]=3 1256 B13R1.77 C=CCc1ccc(cc1)OCCO 34a_100000078792_100000211926 [0,1,1,0,0,0|0,0,0]=2 1257 B13R1.77 C=CCc1ccc(cc1)OCCO 7a_100000078792_100000211926 [0,1,1,0,0,0|0,0,0]=2 1258 B13R1.77 C=CCc1ccc(cc1)OCSC 34a_100000078792_100011218213 [0,1,1,0,0,0|0,1,0]=3 1259 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000211926_100000704263 [0,1,1,0,0,0|1,1,0]=4 1260 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000704263_100000211926 [0,1,1,0,0,0|1,1,0]=4 1261 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000704263_100000766300 [0,1,1,0,0,0|1,1,0]=4 1262 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000766300_100000704263 [0,1,1,0,0,0|1,1,0]=4 1263 B13R1.77 CC=Cc1ccc(cc1)OCCO 271570a_100016259895_100000686261 [0,1,1,0,0,0|0,0,2]=4 1264 B13R1.77 CC=Cc1ccc(cc1)OCOC 271570a_100016259895_100012265687 [0,1,1,0,0,0|0,0,2]=4 1265 B13R1.77 CCCc1ccc(cc1)OCCO 34a_100000749406_100000211926 [0,1,1,0,0,0|0,0,2]=4 1266 B13R1.77 CCCc1ccc(cc1)OCCO 7a_100000749406_100000211926 [0,1,1,0,0,0|0,0,2]=4 1267 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [0,1,1,0,0,0|2,0,0]=4 1268 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [0,1,1,0,0,0|2,0,0]=4 1269 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,1,1,0,0,0|2,0,0]=4 1270 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [0,1,1,0,0,0|2,0,0]=4 1271 B13R1.77 CNCc1ccc(cc1)OCCO 207a_100102657272_100011219967 [0,1,1,0,0,0|1,0,1]=4 1272 B13R1.77 CNCc1ccc(cc1)OCCO 270004a_106832991635_100011219967 [0,1,1,0,0,0|1,0,1]=4 1273 B13R1.77 CNCc1ccc(cc1)OCCO 34a_100000207500_100000211926 [0,1,1,0,0,0|1,0,1]=4 1274 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100000766300_100011361690 [0,1,1,0,0,0|1,1,0]=4 1275 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100011361690_100000766300 [0,1,1,0,0,0|1,1,0]=4 1276 B13R1.77 COCc1ccc(cc1)OCCO 34a_200011995677_100000211926 [0,1,1,0,0,0|1,0,1]=4 1277 B13R1.77 COCc1ccc(cc1)OCCO 7a_200011995677_100000211926 [0,1,1,0,0,0|1,0,1]=4 1278 B13R1.77 N#CCc1ccc(cc1)OCCO 34a_100000198970_100000211926 [0,1,1,0,0,0|1,0,1]=4 1279 B13R1.77 N#CCc1ccc(cc1)OCCO 7a_100000198970_100000211926 [0,1,1,0,0,0|1,0,1]=4 1280 B13R1.77 NCCc1ccc(cc1)OCCO 34a_100000743037_100000211926 [0,1,1,0,0,0|1,0,1]=4 1281 B13R1.77 O=CCNc1ccc(cc1)CCO 2230a_100011204434_200015260668 [0,1,1,0,0,0|2,0,0]=4 1282 B13R1.77 O=CCNc1ccc(cc1)CCO 34a_100011204434_200009817547 [0,1,1,0,0,0|2,0,0]=4 1283 B13R1.77 O=CCOc1ccc(cc1)CCO 34a_100011215338_200009817547 [0,1,1,0,0,0|2,0,0]=4 1284 B13R1.77 O=CCOc1ccc(cc1)CCO 7a_100011215338_200015260668 [0,1,1,0,0,0|2,0,0]=4 1285 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_100000766406_200015260668 [0,1,1,0,0,0|2,0,0]=4 1286 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_200015260668_100000766406 [0,1,1,0,0,0|2,0,0]=4 1287 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100000211926_100011361690 [0,1,1,0,0,0|1,1,0]=4 1288 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100011361690_100000211926 [0,1,1,0,0,0|1,1,0]=4 1289 B13R1.77 OCCOc1ccc(cc1)CCBr 34a_100009816426_100000211926 [0,1,1,0,0,0|1,0,1]=4 1290 B13R1.77 OCCOc1ccc(cc1)CCBr 7a_100009816426_100000211926 [0,1,1,0,0,0|1,0,1]=4 1291 B13R1.77 OCCOc1ccc(cc1)CCO 34a_100011215338_100000211926 [0,1,1,0,0,0|1,0,1]=4 1292 B13R1.77 OCCOc1ccc(cc1)CCO 7a_100011215338_100000211926 [0,1,1,0,0,0|1,0,1]=4 1293 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [0,1,1,0,0,0|1,0,0]=3 1294 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [0,1,1,0,0,0|1,0,0]=3 1295 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,1,1,0,0,0|1,0,1]=4 1296 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,1,1,0,0,0|1,0,1]=4 1297 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,1,1,0,0,0|1,0,1]=4 1298 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,1,1,0,0,0|1,0,1]=4 1299 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,1,1,0,0,0|1,0,1]=4 1300 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,1,1,0,0,0|2,0,0]=4 1301 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,1,1,0,0,0|1,0,1]=4 1302 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,1,1,0,0,0|2,0,0]=4 1303 B13R1.373 C=CCc1cccc(c1)SC(C)C 62a_100000210206_100009816576 [0,1,1,0,0,0|1,1,0]=4 1304 B13R1.373 C=CCc1cccc(c1)SC(C)C 62a_100009816576_100000210206 [0,1,1,0,0,0|1,1,0]=4 1305 B13R1.373 CCOc1cccc(c1)CC(=O)C 1458a_100000690747_200000210301 [0,1,1,0,0,0|1,0,1]=4 1306 B13R1.373 CCOc1cccc(c1)CC(=O)N 34a_200000747573_100000210202 [0,1,1,0,0,0|2,0,0]=4 1307 B13R1.373 CCOc1cccc(c1)CC(=O)N 7a_200000747573_100000210202 [0,1,1,0,0,0|2,0,0]=4 1308 B13R1.373 CCOc1cccc(c1)CC(=O)[13CH3] 1458a_100000690747_200025704644 [0,1,1,0,0,0|1,0,1]=4 1309 B13R1.373 NC(=O)Cc1cccc(c1)OCF 34a_200000747573_100015361967 [0,1,1,0,0,0|2,0,0]=4 1310 B13R1.373 NC(=O)Cc1cccc(c1)OCF 7a_200000747573_100015361967 [0,1,1,0,0,0|2,0,0]=4 1311 B13R1.567 C#CCSc1cccc(c1)CC=C 62a_100000038162_100009816576 [0,1,1,0,0,0|1,1,0]=4 1312 B13R1.567 C=C=Cc1cccc(c1)OCCO 271570a_100015277604_100000757546 [0,1,1,0,0,0|0,0,2]=4 1313 B13R1.567 C=C=Cc1cccc(c1)OCOC 271570a_100015277604_100012265688 [0,1,1,0,0,0|0,0,2]=4 1314 B13R1.567 C=CCNc1cc(ccn1)OCC 27a_100020586998_100009995529 [0,1,1,0,0,0|2,0,0]=4 1315 B13R1.567 C=CCNc1cccc(c1)CCO 2230a_100011996697_100000210623 [0,1,1,0,0,0|1,0,0]=3 1316 B13R1.567 C=CCNc1cccc(c1)CCO 34a_100011996697_100015514636 [0,1,1,0,0,0|1,0,0]=3 1317 B13R1.567 C=CCNc1cccc(c1)OCC 2230a_100000742568_100000210623 [0,1,1,0,0,0|1,0,0]=3 1318 B13R1.567 C=CCNc1cccc(c1)OCC 34a_100000742568_100015514636 [0,1,1,0,0,0|1,0,0]=3 1319 B13R1.567 C=CCOc1cccc(c1)CCC 34a_100000039106_100015514636 [0,1,1,0,0,0|2,0,0]=4 1320 B13R1.567 C=CCOc1cccc(c1)CCC 7a_100000039106_100015514636 [0,1,1,0,0,0|2,0,0]=4 1321 B13R1.567 C=CCOc1cccc(c1)CCN 34a_100000747277_100015514636 [0,1,1,0,0,0|2,0,0]=4 1322 B13R1.567 C=CCOc1cccc(c1)CCO 34a_100011215281_100015514636 [0,1,1,0,0,0|1,0,0]=3 1323 B13R1.567 C=CCOc1cccc(c1)CCO 7a_100011215281_100015514636 [0,1,1,0,0,0|1,0,0]=3 1324 B13R1.567 C=CCOc1cccc(c1)NCC 34a_100000717746_100015514636 [0,1,1,0,0,0|2,0,0]=4 1325 B13R1.567 C=CCOc1cccc(c1)NCC 7a_100000717746_100015514636 [0,1,1,0,0,0|2,0,0]=4 1326 B13R1.567 C=CCOc1cccc(c1)OCC 34a_100011215941_100015514636 [0,1,1,0,0,0|1,0,0]=3 1327 B13R1.567 C=CCOc1cccc(c1)OCC 7a_100011215941_100015514636 [0,1,1,0,0,0|1,0,0]=3 1328 B13R1.567 C=CCSc1cc(ccn1)OCC 62a_100000210623_100011922638 [0,1,1,0,0,0|2,0,0]=4 1329 B13R1.567 C=CCSc1cc(ccn1)OCC 62a_100009995529_100000210623 [0,1,1,0,0,0|2,0,0]=4 1330 B13R1.567 C=CCSc1cccc(c1)CC=C 62a_100000210623_100009816576 [0,1,1,0,0,0|1,1,0]=4 1331 B13R1.567 C=CCSc1cccc(c1)CC=C 62a_100009816576_100000210623 [0,1,1,0,0,0|1,1,0]=4 1332 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000210623_100000694964 [0,1,1,0,0,0|2,0,0]=4 1333 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000694964_100000210623 [0,1,1,0,0,0|2,0,0]=4 1334 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100000210623_100011207229 [0,1,1,0,0,0|2,0,0]=4 1335 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100011207229_100000210623 [0,1,1,0,0,0|2,0,0]=4 1336 B13R1.567 C=CCSc1cccc(c1)CCO 62a_100000210623_100011217444 [0,1,1,0,0,0|1,0,0]=3 1337 B13R1.567 C=CCSc1cccc(c1)CCO 62a_100011217444_100000210623 [0,1,1,0,0,0|1,0,0]=3 1338 B13R1.567 C=CCSc1cccc(c1)NCC 62a_100000210623_100000738899 [0,1,1,0,0,0|2,0,0]=4 1339 B13R1.567 C=CCSc1cccc(c1)OCC 62a_100000210623_100000170002 [0,1,1,0,0,0|1,0,0]=3 1340 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000210623_100000703699 [0,1,1,0,0,0|1,1,0]=4 1341 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000703699_100000210623 [0,1,1,0,0,0|1,1,0]=4 1342 B13R1.567 C=CCSc1cccc(n1)CCO 62a_100000210623_100010221043 [0,1,1,0,0,0|2,0,0]=4 1343 B13R1.567 C=CCSc1cccc(n1)CCO 62a_100010221043_100000210623 [0,1,1,0,0,0|2,0,0]=4 1344 B13R1.567 C=CCSc1cccc(n1)OCC 62a_100000210623_100000752924 [0,1,1,0,0,0|2,0,0]=4 1345 B13R1.567 C=CCSc1cccc(n1)OCC 62a_100000752924_100000210623 [0,1,1,0,0,0|2,0,0]=4 1346 B13R1.567 C=CCSc1ccnc(c1)OCC 62a_100000210623_100009995528 [0,1,1,0,0,0|2,0,0]=4 1347 B13R1.567 C=CCSc1ccnc(c1)OCC 62a_100009995528_100000210623 [0,1,1,0,0,0|2,0,0]=4 1348 B13R1.567 C=CCSc1cncc(c1)OCC 62a_100000210623_100012029586 [0,1,1,0,0,0|2,0,0]=4 1349 B13R1.567 C=CCSc1cncc(c1)OCC 62a_100012029586_100000210623 [0,1,1,0,0,0|2,0,0]=4 1350 B13R1.567 C=CCc1cccc(c1)CCCC 271570a_100020621405_100009816576 [0,1,1,0,0,0|2,0,0]=4 1351 B13R1.567 C=CCc1cccc(c1)SCC#N 62a_100009816576_100011215382 [0,1,1,0,0,0|1,1,0]=4 1352 B13R1.567 C=CCc1cccc(c1)SCC#N 62a_100011215382_100009816576 [0,1,1,0,0,0|1,1,0]=4 1353 B13R1.567 C=CCc1cccc(c1)SCC=O 62a_100009816576_200015260668 [0,1,1,0,0,0|0,1,1]=4 1354 B13R1.567 C=CCc1cccc(c1)SCC=O 62a_200015260668_100009816576 [0,1,1,0,0,0|0,1,1]=4 1355 B13R1.567 C=CCc1cccc(c1)SCCC 62a_100000210303_100009816576 [0,1,1,0,0,0|1,1,0]=4 1356 B13R1.567 C=CCc1cccc(c1)SCCC 62a_100009816576_100000210303 [0,1,1,0,0,0|1,1,0]=4 1357 B13R1.567 C=CCc1cccc(c1)SCCF 62a_100009816576_100011217306 [0,1,1,0,0,0|1,1,0]=4 1358 B13R1.567 C=CCc1cccc(c1)SCCF 62a_100011217306_100009816576 [0,1,1,0,0,0|1,1,0]=4 1359 B13R1.567 C=CCc1cccc(c1)SCCO 62a_100000211926_100009816576 [0,1,1,0,0,0|0,1,0]=3 1360 B13R1.567 C=CCc1cccc(c1)SCCO 62a_100009816576_100000211926 [0,1,1,0,0,0|0,1,0]=3 1361 B13R1.567 C=CCc1cccc(c1)SCOC 62a_100000766300_100009816576 [0,1,1,0,0,0|0,1,0]=3 1362 B13R1.567 C=CCc1cccc(c1)SCOC 62a_100009816576_100000766300 [0,1,1,0,0,0|0,1,0]=3 1363 B13R1.567 C=CCc1cccc(c1)SCSC 62a_100009816576_100011218213 [0,1,1,0,0,0|0,2,0]=4 1364 B13R1.567 C=CCc1cccc(c1)SCSC 62a_100011218213_100009816576 [0,1,1,0,0,0|0,2,0]=4 1365 B13R1.567 CC=Cc1cccc(c1)OCCO 271570a_100016259895_100000757546 [0,1,1,0,0,0|0,0,2]=4 1366 B13R1.567 CC=Cc1cccc(c1)OCOC 271570a_100016259895_100012265688 [0,1,1,0,0,0|0,0,2]=4 1367 B13R1.567 CCCc1cccc(c1)OCCO 34a_100000039106_100000211926 [0,1,1,0,0,0|0,0,2]=4 1368 B13R1.567 CCCc1cccc(c1)OCCO 7a_100000039106_100000211926 [0,1,1,0,0,0|0,0,2]=4 1369 B13R1.567 CCOc1cccc(c1)NCC=O 2230a_100000742568_200015260668 [0,1,1,0,0,0|2,0,0]=4 1370 B13R1.567 CCOc1cccc(c1)NCC=O 34a_100000742568_200009817547 [0,1,1,0,0,0|2,0,0]=4 1371 B13R1.567 CCOc1cccc(c1)OCC=O 34a_100011215941_200009817547 [0,1,1,0,0,0|2,0,0]=4 1372 B13R1.567 CCOc1cccc(c1)OCC=O 7a_100011215941_200015260668 [0,1,1,0,0,0|2,0,0]=4 1373 B13R1.567 CCOc1cccc(c1)SCC=O 62a_200015260668_100000170002 [0,1,1,0,0,0|2,0,0]=4 1374 B13R1.567 CNCc1cccc(c1)OCCO 207a_100102657272_100011217509 [0,1,1,0,0,0|1,0,1]=4 1375 B13R1.567 CNCc1cccc(c1)OCCO 270004a_106832991635_100011217509 [0,1,1,0,0,0|1,0,1]=4 1376 B13R1.567 CNCc1cccc(c1)OCCO 34a_100000207540_100000211926 [0,1,1,0,0,0|1,0,1]=4 1377 B13R1.567 CNCc1cccc(c1)OCOC 207a_100102657272_200011361672 [0,1,1,0,0,0|1,0,1]=4 1378 B13R1.567 CNCc1cccc(c1)OCOC 270004a_106832991635_200011361672 [0,1,1,0,0,0|1,0,1]=4 1379 B13R1.567 COCSc1cccc(c1)CC=O 62a_100000766300_200000698211 [0,1,1,0,0,0|1,1,0]=4 1380 B13R1.567 COCSc1cccc(c1)CC=O 62a_200000698211_100000766300 [0,1,1,0,0,0|1,1,0]=4 1381 B13R1.567 N#CCc1cccc(c1)OCCO 7a_100000696680_100000211926 [0,1,1,0,0,0|1,0,1]=4 1382 B13R1.567 NCCc1cccc(c1)OCCO 34a_100000747277_100000211926 [0,1,1,0,0,0|1,0,1]=4 1383 B13R1.567 NNCc1cccc(c1)OCCO 34a_100000008902_100000211926 [0,1,1,0,0,0|2,0,0]=4 1384 B13R1.567 O=CCNc1cccc(c1)CCO 2230a_100011996697_200015260668 [0,1,1,0,0,0|2,0,0]=4 1385 B13R1.567 O=CCNc1cccc(c1)CCO 34a_100011996697_200009817547 [0,1,1,0,0,0|2,0,0]=4 1386 B13R1.567 O=CCOc1cccc(c1)CCO 34a_100011215281_200009817547 [0,1,1,0,0,0|2,0,0]=4 1387 B13R1.567 O=CCOc1cccc(c1)CCO 7a_100011215281_200015260668 [0,1,1,0,0,0|2,0,0]=4 1388 B13R1.567 O=CCSc1cccc(c1)CCO 62a_100011217444_200015260668 [0,1,1,0,0,0|2,0,0]=4 1389 B13R1.567 O=CCSc1cccc(c1)CCO 62a_200015260668_100011217444 [0,1,1,0,0,0|2,0,0]=4 1390 B13R1.567 O=CCc1cccc(c1)SCCO 62a_100000211926_200000698211 [0,1,1,0,0,0|1,1,0]=4 1391 B13R1.567 O=CCc1cccc(c1)SCCO 62a_200000698211_100000211926 [0,1,1,0,0,0|1,1,0]=4 1392 B13R1.567 OCCOc1cccc(c1)CCO 34a_100011215281_100000211926 [0,1,1,0,0,0|1,0,1]=4 1393 B13R1.567 OCCOc1cccc(c1)CCO 7a_100011215281_100000211926 [0,1,1,0,0,0|1,0,1]=4 1394 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,1,0,0,0|0,1,1]=4 1395 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,1,0,0,0|0,1,1]=4 1396 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,1,0,0,0|1,0,1]=4 1397 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,1,0,0,0|1,0,1]=4 1398 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,1,0,0,0|1,0,1]=4 1399 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,1,0,0,0|1,0,1]=4 1400 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,1,0,0,0|1,0,1]=4 1401 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,1,0,0,0|1,0,1]=4 1402 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,1,0,0,0|1,0,1]=4 1403 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,1,0,0,0|0,0,2]=4 1404 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,1,0,0,0|0,0,1]=3 1405 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,1,0,0,0|0,0,1]=3 1406 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,1,0,0,0|1,0,1]=4 1407 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,1,0,0,0|1,0,1]=4 1408 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,1,0,0,0|0,1,1]=4 1409 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,1,0,0,0|0,1,1]=4 1410 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,1,1,0,0,0|0,0,2]=4 1411 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,1,1,0,0,0|0,0,2]=4 1412 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,1,1,0,0,0|0,0,0]=2 1413 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,1,1,0,0,0|0,0,0]=2 1414 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,1,1,0,0,0|0,0,2]=4 1415 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,1,1,0,0,0|0,0,2]=4 1416 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,1,1,0,0,0|0,0,2]=4 1417 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,1,1,0,0,0|0,0,2]=4 1418 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,1,1,0,0,0|0,0,2]=4 1419 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,1,1,0,0,0|0,0,2]=4 1420 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,1,1,0,0,0|0,0,2]=4 1421 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,1,1,0,0,0|0,0,2]=4 1422 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,1,1,0,0,0|1,0,1]=4 1423 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,1,1,0,0,0|1,0,1]=4 1424 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,1,1,0,0,0|1,0,1]=4 1425 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,1,1,0,0,0|1,0,1]=4 1426 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,1,1,0,0,0|1,0,1]=4 1427 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,1,1,0,0,0|1,0,1]=4 1428 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,1,1,0,0,0|1,0,1]=4 1429 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,1,1,0,0,0|1,0,1]=4 1430 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,1,1,0,0,0|1,0,1]=4 1431 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,1,1,0,0,0|1,0,1]=4 1432 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,1,1,0,0,0|1,0,1]=4 1433 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,1,1,0,0,0|1,0,1]=4 1434 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,1,1,0,0,0|1,0,1]=4 1435 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,1,1,0,0,0|1,0,1]=4 1436 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,1,1,0,0,0|1,0,1]=4 1437 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,1,1,0,0,0|1,0,1]=4 1438 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,1,1,0,0,0|1,0,1]=4 1439 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,1,1,0,0,0|1,0,1]=4 1440 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,1,1,0,0,0|1,0,1]=4 1441 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,1,1,0,0,0|1,0,1]=4 1442 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,1,1,0,0,0|1,0,1]=4 1443 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,1,1,0,0,0|1,0,1]=4 1444 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,1,1,0,0,0|1,0,1]=4 1445 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,1,1,0,0,0|0,0,2]=4 1446 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,1,1,0,0,0|0,0,2]=4 1447 B13R1.575 C=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100015514636 [0,1,1,0,0,0|2,0,0]=4 1448 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210623 [0,1,1,0,0,0|2,0,0]=4 1449 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100015514636 [0,1,1,0,0,0|2,0,0]=4 1450 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100015514636 [0,1,1,0,0,0|2,0,0]=4 1451 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,1,1,0,0,0|1,0,0]=3 1452 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,1,1,0,0,0|1,0,0]=3 1453 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,1,1,0,0,0|1,0,0]=3 1454 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,1,1,0,0,0|1,0,0]=3 1456 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,1,1,0,0,0|1,0,0]=3 1457 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,1,1,0,0,0|1,0,0]=3 1458 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,1,1,0,0,0|1,0,0]=3 1459 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,1,1,0,0,0|1,0,0]=3 1460 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,1,1,0,0,0|0,0,0]=2 1461 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [0,1,1,0,0,0|2,0,0]=4 1462 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [0,1,1,0,0,0|2,0,0]=4 1463 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,1,1,0,0,0|1,0,0]=3 1464 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,1,1,0,0,0|1,0,0]=3 1465 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,1,1,0,0,0|1,0,0]=3 1466 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,1,1,0,0,0|1,0,0]=3 1467 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,1,1,0,0,0|1,0,0]=3 1468 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,1,1,0,0,0|1,0,0]=3 1469 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,1,1,0,0,0|1,0,0]=3 1470 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,1,1,0,0,0|1,0,0]=3 1471 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,1,1,0,0,0|1,0,0]=3 1472 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,1,1,0,0,0|1,0,0]=3 1473 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,1,1,0,0,0|1,0,1]=4 1474 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100000210623_100010067687 [0,1,1,0,0,0|2,0,0]=4 1475 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210623 [0,1,1,0,0,0|2,0,0]=4 1476 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_100000210623_200010136270 [0,1,1,0,0,0|2,0,0]=4 1477 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210623 [0,1,1,0,0,0|2,0,0]=4 1478 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100000210623_100009887741 [0,1,1,0,0,0|2,0,0]=4 1479 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210623 [0,1,1,0,0,0|2,0,0]=4 1480 B13R1.575 C=CCSc1ccc(c(c1)C#N)O 62a_100000210623_100000687585 [0,1,1,0,0,0|2,0,0]=4 1481 B13R1.575 C=CCSc1ccc(c(c1)C=O)O 62a_100000210623_100000186750 [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100000210623_100010244631 [0,1,1,0,0,0|2,0,0]=4 1483 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210623 [0,1,1,0,0,0|2,0,0]=4 1484 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100000210623_100010244625 [0,1,1,0,0,0|2,0,0]=4 1485 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210623 [0,1,1,0,0,0|2,0,0]=4 1486 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000210623_100000686106 [0,1,1,0,0,0|2,0,0]=4 1487 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210623 [0,1,1,0,0,0|2,0,0]=4 1488 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,1,1,0,0,0|1,0,0]=3 1489 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [0,1,1,0,0,0|2,0,0]=4 1490 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [0,1,1,0,0,0|2,0,0]=4 1491 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [0,1,1,0,0,0|2,0,0]=4 1492 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [0,1,1,0,0,0|2,0,0]=4 1493 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100000210623_100020629602 [0,1,1,0,0,0|2,0,0]=4 1494 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210623 [0,1,1,0,0,0|2,0,0]=4 1495 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100000210623_100011314990 [0,1,1,0,0,0|2,0,0]=4 1496 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210623 [0,1,1,0,0,0|2,0,0]=4 1497 B13R1.575 C=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210623 [0,1,1,0,0,0|2,0,0]=4 1498 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,1,1,0,0,0|1,0,0]=3 1499 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,1,1,0,0,0|1,0,0]=3 1500 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,1,1,0,0,0|1,0,0]=3 1501 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,1,1,0,0,0|1,0,0]=3 1502 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,1,1,0,0,0|1,0,0]=3 1503 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,1,1,0,0,0|1,0,0]=3 1504 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,1,1,0,0,0|1,0,0]=3 1505 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,1,1,0,0,0|1,0,0]=3 1506 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,1,1,0,0,0|1,0,0]=3 1507 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,1,1,0,0,0|1,0,0]=3 1508 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,1,1,0,0,0|0,0,0]=2 1509 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100000210623_100010341305 [0,1,1,0,0,0|1,1,0]=4 1510 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210623 [0,1,1,0,0,0|1,1,0]=4 1511 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000210623_100000687816 [0,1,1,0,0,0|2,0,0]=4 1512 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210623 [0,1,1,0,0,0|2,0,0]=4 1513 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,1,1,0,0,0|1,0,0]=3 1514 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100000210623_100010254219 [0,1,1,0,0,0|2,0,0]=4 1515 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210623 [0,1,1,0,0,0|2,0,0]=4 1516 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100000210623_100010214931 [0,1,1,0,0,0|2,0,0]=4 1517 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210623 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_100000210623_106354213024 [0,1,1,0,0,0|2,0,0]=4 1519 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210623 [0,1,1,0,0,0|2,0,0]=4 1520 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_100000210623_200010365344 [0,1,1,0,0,0|2,0,0]=4 1521 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210623 [0,1,1,0,0,0|2,0,0]=4 1522 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,1,1,0,0,0|0,0,2]=4 1523 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,1,1,0,0,0|0,0,2]=4 1524 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,1,1,0,0,0|0,0,2]=4 1525 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,1,1,0,0,0|0,0,2]=4 1526 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,1,1,0,0,0|2,0,0]=4 1527 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,1,1,0,0,0|0,0,2]=4 1528 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,1,1,0,0,0|0,0,2]=4 1529 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,1,1,0,0,0|0,0,2]=4 1530 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,1,1,0,0,0|1,0,1]=4 1531 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,1,1,0,0,0|2,0,0]=4 1532 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,1,1,0,0,0|2,0,0]=4 1533 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,1,1,0,0,0|2,0,0]=4 1534 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,1,1,0,0,0|2,0,0]=4 1535 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,1,1,0,0,0|2,0,0]=4 1536 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,1,1,0,0,0|2,0,0]=4 1537 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,1,1,0,0,0|2,0,0]=4 1538 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,1,1,0,0,0|2,0,0]=4 1539 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,1,1,0,0,0|2,0,0]=4 1540 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,1,1,0,0,0|2,0,0]=4 1541 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,1,1,0,0,0|2,0,0]=4 1542 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,1,1,0,0,0|2,0,0]=4 1544 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,1,1,0,0,0|2,0,0]=4 1546 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,1,1,0,0,0|2,0,0]=4 1547 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,1,1,0,0,0|2,0,0]=4 1548 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,1,1,0,0,0|2,0,0]=4 1553 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,1,1,0,0,0|2,0,0]=4 1554 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,1,1,0,0,0|2,0,0]=4 1555 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,1,1,0,0,0|2,0,0]=4 1556 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,1,1,0,0,0|2,0,0]=4 1557 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,1,1,0,0,0|2,0,0]=4 1558 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,1,1,0,0,0|2,0,0]=4 1559 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,1,1,0,0,0|2,0,0]=4 1560 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,1,1,0,0,0|0,0,2]=4 1561 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,1,1,0,0,0|0,0,2]=4 1562 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,1,1,0,0,0|0,0,2]=4 1563 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,1,1,0,0,0|1,0,1]=4 1564 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,1,1,0,0,0|1,0,0]=3 1565 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,1,1,0,0,0|1,0,1]=4 1566 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,1,1,0,0,0|1,0,1]=4 1567 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,1,1,0,0,0|1,0,1]=4 1568 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,1,1,0,0,0|1,0,1]=4 1569 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,1,1,0,0,0|1,0,0]=3 1570 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,1,1,0,0,0|1,0,1]=4 1571 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,1,1,0,0,0|1,0,1]=4 1572 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,1,1,0,0,0|1,0,1]=4 1573 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,1,1,0,0,0|0,0,2]=4 1575 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,1,1,0,0,0|0,0,2]=4 1576 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,1,0,0,0|1,0,1]=4 1577 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,1,0,0,0|1,0,1]=4 1578 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,1,0,0,0|1,0,1]=4 1579 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,1,0,0,0|1,0,1]=4 1581 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,1,0,0,0|1,0,1]=4 1582 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,1,0,0,0|1,0,1]=4 1583 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,1,0,0,0|1,0,1]=4 1584 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,1,0,0,0|1,0,1]=4 1585 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,1,0,0,0|1,0,1]=4 1586 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,1,0,0,0|1,0,1]=4 1587 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,1,0,0,0|1,0,1]=4 1588 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,1,0,0,0|1,0,1]=4 1589 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,1,0,0,0|1,0,1]=4 1590 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,1,0,0,0|1,0,1]=4 1591 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,1,0,0,0|1,0,1]=4 1592 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,1,0,0,0|1,0,1]=4 1593 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,1,0,0,0|1,0,1]=4 1594 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,1,0,0,0|1,0,1]=4 1595 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,1,0,0,0|1,0,1]=4 1596 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,1,0,0,0|1,0,1]=4 1597 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,1,0,0,0|1,0,1]=4 1598 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,1,0,0,0|1,0,1]=4 1599 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,1,0,0,0|1,0,1]=4 1600 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,1,0,0,0|0,0,2]=4 1601 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,1,0,0,0|0,0,1]=3 1602 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,1,0,0,0|0,0,1]=3 1603 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,1,0,0,0|0,0,1]=3 1604 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,1,1,0,0,0|1,0,1]=4 1605 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,1,1,0,0,0|1,0,1]=4 1606 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,1,1,0,0,0|1,0,1]=4 1607 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,1,1,0,0,0|1,0,1]=4 1608 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,1,0,0,0|1,0,1]=4 1609 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,1,0,0,0|1,0,1]=4 1610 B13R1.577 C#CCNc1ccc(c(c1)O)OC 34a_100000211920_100000184674 [0,1,1,0,0,0|0,0,2]=4 1611 B13R1.577 C#CCSc1ccc(c(c1)O)OC 62a_100000038162_100009816560 [0,1,1,0,0,0|0,0,2]=4 1612 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,1,1,0,0,0|1,0,0]=3 1613 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,1,1,0,0,0|1,0,0]=3 1614 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,1,1,0,0,0|1,0,0]=3 1615 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,1,1,0,0,0|1,0,0]=3 1616 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210623 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100015514636 [0,1,1,0,0,0|2,0,0]=4 1618 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100015514636 [0,1,1,0,0,0|2,0,0]=4 1619 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,1,1,0,0,0|1,0,0]=3 1620 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,1,1,0,0,0|1,0,0]=3 1621 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,1,1,0,0,0|1,0,0]=3 1622 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,1,1,0,0,0|1,0,0]=3 1623 B13R1.577 C=CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210623 [0,1,1,0,0,0|1,1,0]=4 1624 B13R1.577 C=CCNc1ccc(c(c1)F)SC 34a_100000762756_100015514636 [0,1,1,0,0,0|1,1,0]=4 1625 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,1,1,0,0,0|1,0,0]=3 1626 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 34a_100000094571_100015514636 [0,1,1,0,0,0|2,0,0]=4 1627 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 7a_100000094571_100015514636 [0,1,1,0,0,0|2,0,0]=4 1628 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,1,1,0,0,0|0,0,0]=2 1629 B13R1.577 C=CCNc1ccc(c(n1)F)OC 27a_100020586998_100010138636 [0,1,1,0,0,0|2,0,0]=4 1630 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,1,1,0,0,0|1,0,0]=3 1631 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,1,1,0,0,0|1,0,0]=3 1632 B13R1.577 C=CCOc1ccc(c(c1)C)NC 34a_100161107805_100015514636 [0,1,1,0,0,0|2,0,0]=4 1633 B13R1.577 C=CCOc1ccc(c(c1)C)NC 7a_100161107805_100015514636 [0,1,1,0,0,0|2,0,0]=4 1634 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,1,1,0,0,0|1,0,0]=3 1635 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,1,1,0,0,0|1,0,0]=3 1636 B13R1.577 C=CCOc1ccc(c(c1)C)SC 34a_100000030144_100015514636 [0,1,1,0,0,0|1,1,0]=4 1637 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100015514636 [0,1,1,0,0,0|2,0,0]=4 1638 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100015514636 [0,1,1,0,0,0|2,0,0]=4 1639 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,1,1,0,0,0|1,0,0]=3 1640 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,1,1,0,0,0|1,0,0]=3 1641 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,1,1,0,0,0|1,0,0]=3 1642 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,1,1,0,0,0|1,0,0]=3 1643 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,1,1,0,0,0|1,0,0]=3 1644 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,1,1,0,0,0|1,0,0]=3 1645 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100000210623_100010896307 [0,1,1,0,0,0|2,0,0]=4 1646 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100010896307_100000210623 [0,1,1,0,0,0|2,0,0]=4 1647 B13R1.577 C=CCSc1cc(c(cn1)OC)O 62a_100000210623_100010264082 [0,1,1,0,0,0|1,0,0]=3 1648 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,1,1,0,0,0|1,0,0]=3 1649 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,1,1,0,0,0|1,0,0]=3 1650 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000210623_100000221803 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210623 [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,1,1,0,0,0|1,0,0]=3 1653 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,1,1,0,0,0|1,0,0]=3 1654 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,1,1,0,0,0|1,0,0]=3 1655 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,1,1,0,0,0|1,0,0]=3 1656 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_100000210623_206447510565 [0,1,1,0,0,0|1,1,0]=4 1657 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210623 [0,1,1,0,0,0|1,1,0]=4 1658 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_100000210623_200010071577 [0,1,1,0,0,0|2,0,0]=4 1659 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210623 [0,1,1,0,0,0|2,0,0]=4 1660 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000210623_100000743884 [0,1,1,0,0,0|2,0,0]=4 1661 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210623 [0,1,1,0,0,0|2,0,0]=4 1662 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,1,1,0,0,0|1,0,0]=3 1663 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,1,1,0,0,0|1,0,0]=3 1664 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100000210623_100010161220 [0,1,1,0,0,0|1,1,0]=4 1665 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210623 [0,1,1,0,0,0|1,1,0]=4 1666 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100000210623_100012354963 [0,1,1,0,0,0|2,0,0]=4 1667 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210623 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.577 C=CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210623 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,1,1,0,0,0|1,0,0]=3 1670 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,1,1,0,0,0|1,0,0]=3 1671 B13R1.577 C=CCSc1ccc(c(c1)O)C#N 62a_100000210623_100011934713 [0,1,1,0,0,0|2,0,0]=4 1672 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100000210623_100011277552 [0,1,1,0,0,0|2,0,0]=4 1673 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210623 [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210623 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000210623_100000071718 [0,1,1,0,0,0|2,0,0]=4 1676 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,1,1,0,0,0|0,0,0]=2 1677 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100000210623_100010214827 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100010214827_100000210623 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100000210623_100010244750 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100010244750_100000210623 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.577 C=CCSc1ccc(c(n1)Cl)OC 62a_100000210623_100010233546 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100000210623_100010138636 [0,1,1,0,0,0|2,0,0]=4 1683 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100010138636_100000210623 [0,1,1,0,0,0|2,0,0]=4 1684 B13R1.577 C=CCSc1ccc(c(n1)N)OC 62a_100010192976_100000210623 [0,1,1,0,0,0|2,0,0]=4 1685 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_100000210623_200010988584 [0,1,1,0,0,0|2,0,0]=4 1686 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_200010988584_100000210623 [0,1,1,0,0,0|2,0,0]=4 1687 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100000210623_100011290809 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100011290809_100000210623 [0,1,1,0,0,0|2,0,0]=4 1689 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100000210623_100011880707 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100011880707_100000210623 [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000210623_100000748608 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000748608_100000210623 [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.577 C=CCSc1cnc(c(c1)O)OC 62a_100000210623_100010135713 [0,1,1,0,0,0|1,0,0]=3 1694 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [0,1,1,0,0,0|0,0,2]=4 1695 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [0,1,1,0,0,0|0,0,2]=4 1696 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [0,1,1,0,0,0|0,0,2]=4 1697 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [0,1,1,0,0,0|0,0,2]=4 1698 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [0,1,1,0,0,0|0,0,2]=4 1699 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [0,1,1,0,0,0|0,0,2]=4 1700 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [0,1,1,0,0,0|1,0,1]=4 1701 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [0,1,1,0,0,0|1,0,1]=4 1702 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [0,1,1,0,0,0|2,0,0]=4 1705 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [0,1,1,0,0,0|2,0,0]=4 1706 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [0,1,1,0,0,0|2,0,0]=4 1712 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [0,1,1,0,0,0|2,0,0]=4 1713 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [0,1,1,0,0,0|2,0,0]=4 1720 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [0,1,1,0,0,0|2,0,0]=4 1721 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [0,1,1,0,0,0|2,0,0]=4 1722 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [0,1,1,0,0,0|2,0,0]=4 1723 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [0,1,1,0,0,0|2,0,0]=4 1724 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [0,1,1,0,0,0|2,0,0]=4 1725 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [0,1,1,0,0,0|2,0,0]=4 1726 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [0,1,1,0,0,0|2,0,0]=4 1727 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [0,1,1,0,0,0|2,0,0]=4 1728 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [0,1,1,0,0,0|0,0,2]=4 1732 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [0,1,1,0,0,0|0,0,2]=4 1733 B13R1.577 COc1ccc(cc1O)CNCF 34a_100000740000_100015361967 [0,1,1,0,0,0|1,0,1]=4 1734 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [0,1,1,0,0,0|1,0,0]=3 1735 B13R1.577 COc1ccc(cc1O)NCCF 34a_100000211920_100011217306 [0,1,1,0,0,0|1,0,1]=4 1736 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [0,1,1,0,0,0|1,0,1]=4 1737 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [0,1,1,0,0,0|1,0,1]=4 1738 B13R1.577 COc1ccc(cc1O)SCC#N 62a_100011215382_100009816560 [0,1,1,0,0,0|1,0,1]=4 1739 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [0,1,1,0,0,0|1,0,0]=3 1740 B13R1.577 COc1ccc(cc1O)SCCF 62a_100011217306_100009816560 [0,1,1,0,0,0|1,0,1]=4 1741 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [0,1,1,0,0,0|1,0,1]=4 1742 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [0,1,1,0,0,0|1,0,1]=4 1743 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [0,1,1,0,0,0|2,0,0]=4 1744 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [0,1,1,0,0,0|2,0,0]=4 1745 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,1,1,0,0,0|1,0,1]=4 1746 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)O 270004a_106832991635_200010620221 [0,1,1,0,0,0|1,0,1]=4 1747 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [1,1,0,0,0,0|0,0,0]=2 1748 B13R2.84 C=Cc1ccc2c(c1F)CCN2 271570a_100011290941_100011013764 [1,1,0,0,0,0|2,0,0]=4 1749 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [1,1,0,0,0,0|0,0,0]=2 1750 B13R2.84 C=Cc1ccc2c(c1N)CCC2 271570a_100011290941_202495424074 [1,1,0,0,0,0|2,0,0]=4 1751 B13R2.84 C=Cc1ccc2c(c1O)CCC2 271570a_100011290941_100010662108 [1,1,0,0,0,0|2,0,0]=4 1752 B13R2.84 CSc1ccc2c(c1C)OCO2 62a_100010335860_200000210301 [1,1,0,0,0,0|1,0,1]=4 1753 B13R2.84 CSc1ccc2c(c1F)OCO2 62a_100010223184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1754 B13R2.84 Cc1c(ccc2c1OCO2)S[13CH3] 62a_100010335860_200025704644 [1,1,0,0,0,0|1,0,1]=4 1755 B13R2.84 [13CH3]Sc1ccc2c(c1F)OCO2 62a_100010223184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1756 B13R2.430 C=C(C)c1cc2c(cn1)OCC2 271570a_100000694244_102495363667 [1,1,0,0,0,0|2,0,0]=4 1757 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [1,1,0,0,0,0|2,0,0]=4 1758 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [1,1,0,0,0,0|2,0,0]=4 1759 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [1,1,0,0,0,0|1,0,0]=3 1760 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [1,1,0,0,0,0|2,0,0]=4 1761 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [1,1,0,0,0,0|1,0,0]=3 1762 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [1,1,0,0,0,0|0,0,0]=2 1763 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [1,1,0,0,0,0|1,0,1]=4 1764 B13R2.430 C=C(C)c1ccc2cnoc2c1 271570a_100000694244_100009817722 [1,1,0,0,0,0|2,0,0]=4 1765 B13R2.430 C=C(C)c1ccc2ncoc2c1 271570a_100000694244_100009817590 [1,1,0,0,0,0|1,0,1]=4 1766 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [1,1,0,0,0,0|1,0,1]=4 1767 B13R2.430 C=C(C)c1ccc2ocnc2c1 271570a_100000694244_100009816175 [1,1,0,0,0,0|1,0,1]=4 1768 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [1,1,0,0,0,0|2,0,0]=4 1769 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [1,1,0,0,0,0|1,0,1]=4 1770 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [1,1,0,0,0,0|0,0,1]=3 1771 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [1,1,0,0,0,0|1,0,1]=4 1772 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [1,1,0,0,0,0|0,0,1]=3 1773 B13R2.599 C=Cc1cc2c(cc1F)NCC2 271570a_100011290941_100012771920 [1,1,0,0,0,0|2,0,0]=4 1774 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [1,1,0,0,0,0|0,0,0]=2 1775 B13R2.599 C=Cc1cc2c(cc1O)CCC2 271570a_100011290941_200010659162 [1,1,0,0,0,0|2,0,0]=4 1776 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [1,1,0,0,0,0|0,0,0]=2 1777 B13R2.599 CNc1cc2c(cc1C)OCO2 2230a_100000066439_200000210301 [1,1,0,0,0,0|1,0,1]=4 1778 B13R2.599 CNc1cc2c(cc1C)OCO2 34a_100000066439_200000210301 [1,1,0,0,0,0|1,0,1]=4 1779 B13R2.599 CNc1cc2c(cc1Cl)OCO2 34a_100000234339_200000210301 [1,1,0,0,0,0|1,0,1]=4 1780 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [1,1,0,0,0,0|1,0,1]=4 1781 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [1,1,0,0,0,0|1,0,1]=4 1782 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [1,1,0,0,0,0|1,0,1]=4 1783 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [1,1,0,0,0,0|1,0,1]=4 1784 B13R2.599 CSc1cc2c(cc1N)OCO2 62a_100012557033_200000210301 [1,1,0,0,0,0|1,0,1]=4 1785 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 2230a_100000066439_200025704644 [1,1,0,0,0,0|1,0,1]=4 1786 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 34a_100000066439_200025704644 [1,1,0,0,0,0|1,0,1]=4 1787 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [1,1,0,0,0,0|1,0,1]=4 1788 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [1,1,0,0,0,0|1,0,1]=4 1789 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [1,1,0,0,0,0|1,0,0]=3 1790 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [1,1,0,0,0,0|1,0,0]=3 1791 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [1,1,0,0,0,0|1,0,0]=3 1792 B13R2.599 [13CH3]Nc1cc2c(cc1Cl)OCO2 34a_100000234339_200025704644 [1,1,0,0,0,0|1,0,1]=4 1793 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [1,1,0,0,0,0|1,0,1]=4 1794 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [1,1,0,0,0,0|1,0,1]=4 1795 B13R2.599 [13CH3]Sc1cc2c(cc1N)OCO2 62a_100012557033_200025704644 [1,1,0,0,0,0|1,0,1]=4 1796 B13R2.654 C=Cc1cc(c2occc2c1)C 271570a_100011290941_100012361858 [1,1,0,0,0,0|1,0,1]=4 1797 B13R2.654 C=Cc1cc(c2occc2c1)F 271570a_100011290941_100012355474 [1,1,0,0,0,0|1,0,1]=4 1798 B13R2.654 O=Cc1cc(c2c(c1)CCO2)O 271570a_203496583355_100009816904 [1,1,0,0,0,0|2,0,0]=4 1799 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [1,1,0,0,0,0|1,0,0]=3 1800 B13R2.669 C=Cc1ccc2c(c1)C(=O)CC2 271570a_100011290941_100000759401 [1,1,0,0,0,0|2,0,0]=4 1801 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [1,1,0,0,0,0|1,0,0]=3 1802 B13R2.669 C=Cc1ccc2c(c1)C(CC2)N 271570a_100011290941_100011435097 [1,1,0,0,0,0|2,0,0]=4 1803 B13R2.669 C=Cc1ccc2c(c1)C(CC2)O 271570a_100011290941_100011836024 [1,1,0,0,0,0|2,0,0]=4 1804 B13R2.669 C=Cc1ccc2o[nH]c(=O)c2c1 271570a_100011290941_100000732257 [1,1,0,0,0,0|2,0,0]=4 1805 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [1,1,0,0,0,0|1,0,1]=4 1806 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [1,1,0,0,0,0|2,0,0]=4 1807 B13R2.669 C=Cc1ccc2onc(c2c1)N 271570a_100011290941_100012356444 [1,1,0,0,0,0|2,0,0]=4 1808 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [1,1,0,0,0,0|1,0,1]=4 1809 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)N 271570a_100011290941_100015193702 [1,1,0,0,0,0|2,0,0]=4 1810 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)O 271570a_100011290941_100010161096 [1,1,0,0,0,0|2,0,0]=4 1811 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [1,1,0,0,0,0|1,0,1]=4 1812 B13R2.2121 C=Cc1ccc2nc(oc2c1)N 271570a_100011290941_100010000678 [1,1,0,0,0,0|1,0,1]=4 1813 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [1,1,0,0,0,0|1,0,1]=4 1814 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [1,1,0,0,0,0|1,0,1]=4 1815 B13R2.2121 C=Cc1ccc2oc(nc2c1)N 271570a_100011290941_100000737949 [1,1,0,0,0,0|1,0,1]=4 1816 B13R2.2130 C=Cc1ccc2c(c1)CCC2=O 271570a_100011290941_100000737041 [1,1,0,0,0,0|2,0,0]=4 1817 B13R2.2130 C=Cc1ccc2c(c1)CCC2N 271570a_100011290941_100000744021 [1,1,0,0,0,0|2,0,0]=4 1818 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [1,1,0,0,0,0|2,0,0]=4 1819 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [1,1,0,0,0,0|2,0,0]=4 1820 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [1,1,0,0,0,0|1,0,0]=3 1821 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [1,1,0,0,0,0|1,0,0]=3 1822 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [1,1,0,0,0,0|1,0,1]=4 1823 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [1,1,0,0,0,0|2,0,0]=4 1824 B13R2.2130 C=Cc1ccc2c(noc2c1)N 271570a_100011290941_100012356334 [1,1,0,0,0,0|2,0,0]=4 1825 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [1,1,0,0,0,0|2,0,0]=4 1826 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100000210623_100009818592 [0,1,0,0,1,0|1,0,0]=3 1827 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100009818592_100000210623 [0,1,0,0,1,0|1,0,0]=3 1828 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_100009818592_200015260668 [0,1,0,0,1,0|2,0,0]=4 1829 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_200015260668_100009818592 [0,1,0,0,1,0|2,0,0]=4 1830 B15R2.352 C#CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000038162 [0,1,0,0,0,1|0,0,2]=4 1831 B15R2.352 C#CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000184674 [0,1,0,0,0,1|0,0,2]=4 1832 B15R2.352 C#CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000184674 [0,1,0,0,0,1|0,0,2]=4 1833 B15R2.352 C#CCSc1ccc2c(c1)OCCO2 62a_100000038162_100011216881 [0,1,0,0,0,1|0,0,2]=4 1834 B15R2.352 C=CCNc1ccc2c(c1)CCCC2 2230a_100011205400_100000210623 [0,1,0,0,0,1|2,0,0]=4 1835 B15R2.352 C=CCNc1ccc2c(c1)CCCC2 34a_100011205400_100015514636 [0,1,0,0,0,1|2,0,0]=4 1836 B15R2.352 C=CCNc1ccc2c(c1)CCCO2 2230a_100138412508_100000210623 [0,1,0,0,0,1|1,0,0]=3 1837 B15R2.352 C=CCNc1ccc2c(c1)CCCO2 34a_100138412508_100015514636 [0,1,0,0,0,1|1,0,0]=3 1838 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210623 [0,1,0,0,0,1|0,0,0]=2 1839 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 34a_100020630400_100015514636 [0,1,0,0,0,1|0,0,0]=2 1840 B15R2.352 C=CCOc1ccc2c(c1)CCCC2 34a_100000186212_100015514636 [0,1,0,0,0,1|2,0,0]=4 1841 B15R2.352 C=CCOc1ccc2c(c1)CCCC2 7a_100000186212_100015514636 [0,1,0,0,0,1|2,0,0]=4 1842 B15R2.352 C=CCOc1ccc2c(c1)CCCN2 34a_100000070867_100015514636 [0,1,0,0,0,1|2,0,0]=4 1843 B15R2.352 C=CCOc1ccc2c(c1)CCNC2 34a_100000077532_100015514636 [0,1,0,0,0,1|2,0,0]=4 1844 B15R2.352 C=CCOc1ccc2c(c1)CCOC2 34a_100009841951_100015514636 [0,1,0,0,0,1|1,0,0]=3 1845 B15R2.352 C=CCOc1ccc2c(c1)CCOC2 7a_100009841951_100015514636 [0,1,0,0,0,1|1,0,0]=3 1846 B15R2.352 C=CCOc1ccc2c(c1)CNCC2 34a_100015185785_100015514636 [0,1,0,0,0,1|2,0,0]=4 1847 B15R2.352 C=CCOc1ccc2c(c1)NCCC2 34a_106638131596_100015514636 [0,1,0,0,0,1|2,0,0]=4 1848 B15R2.352 C=CCOc1ccc2c(c1)NCCO2 34a_100020636358_100015514636 [0,1,0,0,0,1|1,0,0]=3 1849 B15R2.352 C=CCOc1ccc2c(c1)OCCO2 34a_100000234341_100015514636 [0,1,0,0,0,1|0,0,0]=2 1850 B15R2.352 C=CCSc1ccc2c(c1)CCCC2 62a_100000210623_100011221367 [0,1,0,0,0,1|2,0,0]=4 1851 B15R2.352 C=CCSc1ccc2c(c1)CCCC2 62a_100011221367_100000210623 [0,1,0,0,0,1|2,0,0]=4 1852 B15R2.352 C=CCSc1ccc2c(c1)CCCN2 62a_100000210623_100016994925 [0,1,0,0,0,1|2,0,0]=4 1853 B15R2.352 C=CCSc1ccc2c(c1)CCCN2 62a_100016994925_100000210623 [0,1,0,0,0,1|2,0,0]=4 1854 B15R2.352 C=CCSc1ccc2c(c1)CCCO2 62a_100000210623_100011393166 [0,1,0,0,0,1|1,0,0]=3 1855 B15R2.352 C=CCSc1ccc2c(c1)CCCO2 62a_100011393166_100000210623 [0,1,0,0,0,1|1,0,0]=3 1856 B15R2.352 C=CCSc1ccc2c(c1)CCNC2 62a_100000210623_100000686056 [0,1,0,0,0,1|2,0,0]=4 1857 B15R2.352 C=CCSc1ccc2c(c1)CCNC2 62a_100000686056_100000210623 [0,1,0,0,0,1|2,0,0]=4 1858 B15R2.352 C=CCSc1ccc2c(c1)CNCC2 62a_100000210623_100015189961 [0,1,0,0,0,1|2,0,0]=4 1859 B15R2.352 C=CCSc1ccc2c(c1)CNCC2 62a_100015189961_100000210623 [0,1,0,0,0,1|2,0,0]=4 1860 B15R2.352 C=CCSc1ccc2c(c1)COCC2 62a_100000210623_100010128096 [0,1,0,0,0,1|1,0,0]=3 1861 B15R2.352 C=CCSc1ccc2c(c1)COCC2 62a_100010128096_100000210623 [0,1,0,0,0,1|1,0,0]=3 1862 B15R2.352 C=CCSc1ccc2c(c1)NCCC2 62a_100000210623_100010196366 [0,1,0,0,0,1|2,0,0]=4 1863 B15R2.352 C=CCSc1ccc2c(c1)NCCC2 62a_100010196366_100000210623 [0,1,0,0,0,1|2,0,0]=4 1864 B15R2.352 C=CCSc1ccc2c(c1)NCCO2 62a_100000210623_100000708519 [0,1,0,0,0,1|1,0,0]=3 1865 B15R2.352 C=CCSc1ccc2c(c1)NCCS2 62a_100000210623_100013243616 [0,1,0,0,0,1|1,1,0]=4 1866 B15R2.352 C=CCSc1ccc2c(c1)OCCC2 62a_100000210623_100010700467 [0,1,0,0,0,1|1,0,0]=3 1867 B15R2.352 C=CCSc1ccc2c(c1)OCCC2 62a_100010700467_100000210623 [0,1,0,0,0,1|1,0,0]=3 1868 B15R2.352 C=CCSc1ccc2c(c1)OCCN2 62a_100000210623_100012355470 [0,1,0,0,0,1|1,0,0]=3 1869 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100000210623_100011216881 [0,1,0,0,0,1|0,0,0]=2 1870 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210623 [0,1,0,0,0,1|0,0,0]=2 1871 B15R2.352 C=CCSc1ccc2c(n1)NCCO2 62a_100000210623_100010209492 [0,1,0,0,0,1|2,0,0]=4 1872 B15R2.352 C=CCSc1ccc2c(n1)NCCO2 62a_100010209492_100000210623 [0,1,0,0,0,1|2,0,0]=4 1873 B15R2.352 C=CCSc1cnc2c(c1)CCCO2 62a_100000210623_100010109689 [0,1,0,0,0,1|2,0,0]=4 1874 B15R2.352 C=CCSc1cnc2c(c1)CCCO2 62a_100010109689_100000210623 [0,1,0,0,0,1|2,0,0]=4 1875 B15R2.352 C=CCSc1cnc2c(c1)NCCO2 62a_100000210623_100000700286 [0,1,0,0,0,1|2,0,0]=4 1876 B15R2.352 C=CCSc1cnc2c(c1)OCCN2 62a_100000210623_100009816924 [0,1,0,0,0,1|2,0,0]=4 1877 B15R2.352 C=CCSc1cnc2c(c1)OCCN2 62a_100009816924_100000210623 [0,1,0,0,0,1|2,0,0]=4 1878 B15R2.352 CCCCc1ccc2c(c1)OCCO2 271570a_100020621405_100000184379 [0,1,0,0,0,1|0,0,2]=4 1879 B15R2.352 CCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210303 [0,1,0,0,0,1|0,0,2]=4 1880 B15R2.352 CCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210303 [0,1,0,0,0,1|0,0,2]=4 1881 B15R2.352 CCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210303 [0,1,0,0,0,1|0,0,2]=4 1882 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100000210303_100011216881 [0,1,0,0,0,1|0,0,2]=4 1883 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210303 [0,1,0,0,0,1|0,0,2]=4 1884 B15R2.352 CCNCc1ccc2c(c1)OCCO2 207a_100015525214_100000184955 [0,1,0,0,0,1|0,0,2]=4 1885 B15R2.352 CCNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000210202 [0,1,0,0,0,1|0,0,2]=4 1886 B15R2.352 CCNCc1ccc2c(c1)OCCO2 270004a_100015525214_100000184955 [0,1,0,0,0,1|0,0,2]=4 1887 B15R2.352 CCNCc1ccc2c(c1)OCCO2 34a_100000684186_100000210202 [0,1,0,0,0,1|0,0,2]=4 1888 B15R2.352 CCOCc1ccc2c(c1)OCCO2 34a_100000745213_100000210202 [0,1,0,0,0,1|0,0,2]=4 1889 B15R2.352 COCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000766300 [0,1,0,0,0,1|1,0,1]=4 1890 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100000766300_100011216881 [0,1,0,0,0,1|1,0,1]=4 1891 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100011216881_100000766300 [0,1,0,0,0,1|1,0,1]=4 1892 B15R2.352 CSCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011218213 [0,1,0,0,0,1|1,0,1]=4 1893 B15R2.352 CSCNc1ccc2c(c1)OCCO2 34a_100020630400_100011218213 [0,1,0,0,0,1|1,0,1]=4 1894 B15R2.352 CSCOc1ccc2c(c1)OCCO2 34a_100000234341_100011218213 [0,1,0,0,0,1|1,0,1]=4 1895 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011216881_100011218213 [0,1,0,0,0,1|1,0,1]=4 1896 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011218213_100011216881 [0,1,0,0,0,1|1,0,1]=4 1897 B15R2.352 FCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011217306 [0,1,0,0,0,1|1,0,1]=4 1898 B15R2.352 FCCNc1ccc2c(c1)OCCO2 34a_100020630400_100011217306 [0,1,0,0,0,1|1,0,1]=4 1899 B15R2.352 FCCOc1ccc2c(c1)OCCO2 34a_100000234341_100011217306 [0,1,0,0,0,1|1,0,1]=4 1900 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011216881_100011217306 [0,1,0,0,0,1|1,0,1]=4 1901 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011217306_100011216881 [0,1,0,0,0,1|1,0,1]=4 1902 B15R2.352 FCNCc1ccc2c(c1)OCCO2 34a_100000684186_100015361967 [0,1,0,0,0,1|1,0,1]=4 1903 B15R2.352 FCOCc1ccc2c(c1)OCCO2 34a_100000745213_100015361967 [0,1,0,0,0,1|1,0,1]=4 1904 B15R2.352 N#CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011215382 [0,1,0,0,0,1|1,0,1]=4 1905 B15R2.352 N#CCSc1ccc2c(c1)OCCO2 62a_100011215382_100011216881 [0,1,0,0,0,1|1,0,1]=4 1906 B15R2.352 N#CCSc1ccc2c(c1)OCCO2 62a_100011216881_100011215382 [0,1,0,0,0,1|1,0,1]=4 1907 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 2230a_100138412508_200015260668 [0,1,0,0,0,1|2,0,0]=4 1908 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 34a_100138412508_200009817547 [0,1,0,0,0,1|2,0,0]=4 1909 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_200015260668 [0,1,0,0,0,1|1,0,0]=3 1910 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 34a_100020630400_200009817547 [0,1,0,0,0,1|1,0,0]=3 1911 B15R2.352 O=CCOc1ccc2c(c1)CCOC2 34a_100009841951_200009817547 [0,1,0,0,0,1|2,0,0]=4 1912 B15R2.352 O=CCOc1ccc2c(c1)CCOC2 7a_100009841951_200015260668 [0,1,0,0,0,1|2,0,0]=4 1913 B15R2.352 O=CCOc1ccc2c(c1)NCCO2 34a_100020636358_200009817547 [0,1,0,0,0,1|2,0,0]=4 1914 B15R2.352 O=CCOc1ccc2c(c1)OCCO2 34a_100000234341_200009817547 [0,1,0,0,0,1|1,0,0]=3 1915 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_100011393166_200015260668 [0,1,0,0,0,1|2,0,0]=4 1916 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_200015260668_100011393166 [0,1,0,0,0,1|2,0,0]=4 1917 B15R2.352 O=CCSc1ccc2c(c1)COCC2 62a_100010128096_200015260668 [0,1,0,0,0,1|2,0,0]=4 1918 B15R2.352 O=CCSc1ccc2c(c1)COCC2 62a_200015260668_100010128096 [0,1,0,0,0,1|2,0,0]=4 1919 B15R2.352 O=CCSc1ccc2c(c1)NCCO2 62a_200015260668_100000708519 [0,1,0,0,0,1|2,0,0]=4 1920 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_100010700467_200015260668 [0,1,0,0,0,1|2,0,0]=4 1921 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_200015260668_100010700467 [0,1,0,0,0,1|2,0,0]=4 1922 B15R2.352 O=CCSc1ccc2c(c1)OCCN2 62a_200015260668_100012355470 [0,1,0,0,0,1|2,0,0]=4 1923 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_100011216881_200015260668 [0,1,0,0,0,1|1,0,0]=3 1924 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_200015260668_100011216881 [0,1,0,0,0,1|1,0,0]=3 1925 B15R2.352 OCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000211926 [0,1,0,0,0,1|1,0,1]=4 1926 B15R2.352 OCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000211926 [0,1,0,0,0,1|1,0,1]=4 1927 B15R2.352 OCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000211926 [0,1,0,0,0,1|1,0,1]=4 1928 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100000211926_100011216881 [0,1,0,0,0,1|1,0,1]=4 1929 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000211926 [0,1,0,0,0,1|1,0,1]=4 1930 B15R2.888 CNCc1cc2c(cc1C)OCCO2 207a_100102657272_100000101720 [0,1,0,0,0,1|1,0,1]=4 1931 B15R2.888 CNCc1cc2c(cc1C)OCCO2 270004a_106832991635_100000101720 [0,1,0,0,0,1|1,0,1]=4 1932 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 2230a_100000738497_200025704644 [0,1,0,0,0,1|1,0,1]=4 1933 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 34a_100000738497_200025704644 [0,1,0,0,0,1|1,0,1]=4 1934 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 2230a_100000738497_200000210301 [0,1,0,0,0,1|1,0,1]=4 1935 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 269862a_106832991636_100000182760 [0,1,0,0,0,1|1,0,1]=4 1936 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 34a_100000738497_200000210301 [0,1,0,0,0,1|1,0,1]=4 1937 B15R2.1668 CC(=Cc1ccc2c(c1)OCCO2)C 271570a_100102525489_100000184379 [0,1,0,0,0,1|0,0,2]=4 1938 B15R2.1668 CC(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200000210301 [0,1,0,0,0,1|0,0,1]=3 1939 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 11a_100020630400_100015343762 [0,1,0,0,0,1|1,0,1]=4 1940 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 1626a_100020630400_100015343762 [0,1,0,0,0,1|1,0,1]=4 1941 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 22a_100020630400_100000070787 [0,1,0,0,0,1|1,0,1]=4 1942 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 527a_100020630400_100103153847 [0,1,0,0,0,1|1,0,1]=4 1943 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 2230a_100000684720_200000210301 [0,1,0,0,0,1|1,0,1]=4 1944 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 269982a_100000684720_200000210301 [0,1,0,0,0,1|1,0,1]=4 1945 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 270004a_100102631434_100000184955 [0,1,0,0,0,1|1,0,1]=4 1946 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 2230a_100000684720_200025704644 [0,1,0,0,0,1|1,0,1]=4 1947 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 269982a_100000684720_200025704644 [0,1,0,0,0,1|1,0,1]=4 1948 B15R2.1668 [13CH3]C(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200025704644 [0,1,0,0,0,1|0,0,1]=3 1949 B15R2.2220 C=C=Cc1ccc2c(c1C)OCCO2 271570a_100015277604_100010072848 [0,1,0,0,0,1|0,0,2]=4 1950 B15R2.2220 CC=Cc1ccc2c(c1C)OCCO2 271570a_100016259895_100010072848 [0,1,0,0,0,1|0,0,2]=4 1951 B15R2.1393 C=CCNc1ccc2onc(c2c1)C 34a_200000044492_100015514636 [0,2,0,0,0,0|2,0,0]=4 1952 B15R2.1393 C=CCOc1ccc2c(c1)C(=O)CC2 34a_100009827925_100015514636 [0,2,0,0,0,0|2,0,0]=4 1953 B15R2.1393 C=CCOc1ccc2c(c1)C(=O)CC2 7a_100009827925_100015514636 [0,2,0,0,0,0|2,0,0]=4 1954 B15R2.1393 C=CCSc1ccc2c(c1)C(=O)CC2 62a_100000210623_100000759401 [0,2,0,0,0,0|2,0,0]=4 1955 B15R2.1393 C=CCSc1ccc2c(c1)C(=O)CC2 62a_100000759401_100000210623 [0,2,0,0,0,0|2,0,0]=4 1956 B15R2.1393 C=CCSc1ccc2c(c1)C(=O)CO2 62a_100000210623_100000752586 [0,2,0,0,0,0|1,0,0]=3 1957 B15R2.1393 C=CCSc1ccc2c(c1)C(CC2)N 62a_100000210623_100011435097 [0,2,0,0,0,0|2,0,0]=4 1958 B15R2.1393 C=CCSc1ccc2c(c1)C(CC2)N 62a_100011435097_100000210623 [0,2,0,0,0,0|2,0,0]=4 1959 B15R2.1393 C=CCSc1ccc2c(c1)C(CC2)O 62a_100000210623_100011836024 [0,2,0,0,0,0|2,0,0]=4 1960 B15R2.1393 C=CCSc1ccc2c(c1)C(CC2)O 62a_100011836024_100000210623 [0,2,0,0,0,0|2,0,0]=4 1961 B15R2.1393 C=CCSc1ccc2o[nH]c(=O)c2c1 62a_100000210623_100000732257 [0,2,0,0,0,0|2,0,0]=4 1962 B15R2.1393 C=CCSc1ccc2occ(c2c1)C 62a_100000210623_100000728893 [0,2,0,0,0,0|1,0,1]=4 1963 B15R2.1393 C=CCSc1ccc2onc(c2c1)C 62a_100000210623_100010196875 [0,2,0,0,0,0|2,0,0]=4 1964 B15R2.1393 C=CCSc1ccc2onc(c2c1)C 62a_100010196875_100000210623 [0,2,0,0,0,0|2,0,0]=4 1965 B15R2.1393 C=CCSc1ccc2onc(c2c1)N 62a_100000210623_100012356444 [0,2,0,0,0,0|2,0,0]=4 1966 B15R2.1393 C=CCSc1ccc2onc(c2c1)N 62a_100012356444_100000210623 [0,2,0,0,0,0|2,0,0]=4 1967 B15R2.1393 O=CCSc1ccc2c(c1)C(=O)CO2 62a_200015260668_100000752586 [0,2,0,0,0,0|2,0,0]=4 1968 B15R2.964 CC(=Cc1cc2c(cc1N)OCO2)C 271570a_100102525489_100012557033 [0,2,0,0,0,0|0,0,2]=4 1969 B15R2.964 CC(=Cc1cc2c(cc1O)OCO2)C 271570a_100102525489_100010290809 [0,2,0,0,0,0|0,0,2]=4 1970 B15R2.964 CC(=O)Cc1cc2c(cc1Br)OCO2 1458a_100000070787_100009995336 [0,2,0,0,0,0|0,0,1]=3 1971 B15R2.964 CC(=O)Cc1cc2c(cc1Cl)OCO2 1458a_100000070787_100000043460 [0,2,0,0,0,0|0,0,1]=3 1972 B15R2.964 CC(=O)Nc1cc2c(cc1C)OCO2 11a_100000066439_100015343762 [0,2,0,0,0,0|1,0,1]=4 1973 B15R2.964 CC(=O)Nc1cc2c(cc1C)OCO2 1626a_100000066439_100015343762 [0,2,0,0,0,0|1,0,1]=4 1974 B15R2.964 CC(=O)Nc1cc2c(cc1C)OCO2 22a_100000066439_100000070787 [0,2,0,0,0,0|1,0,1]=4 1975 B15R2.964 CC(=O)Nc1cc2c(cc1C)OCO2 527a_100000066439_100103153847 [0,2,0,0,0,0|1,0,1]=4 1976 B15R2.964 CC(=O)Nc1cc2c(cc1Cl)OCO2 11a_100000234339_100015343762 [0,2,0,0,0,0|1,0,1]=4 1977 B15R2.964 CC(=O)Nc1cc2c(cc1Cl)OCO2 1626a_100000234339_100015343762 [0,2,0,0,0,0|1,0,1]=4 1978 B15R2.964 CC(=O)Nc1cc2c(cc1Cl)OCO2 22a_100000234339_100000070787 [0,2,0,0,0,0|1,0,1]=4 1979 B15R2.964 CC(=O)Nc1cc2c(cc1I)OCO2 11a_100012557033_100015343762 [0,2,0,0,0,0|1,0,1]=4 1980 B15R2.964 CC(=O)Nc1cc2c(cc1I)OCO2 1626a_100012557033_100015343762 [0,2,0,0,0,0|1,0,1]=4 1981 B15R2.964 CC(=O)Nc1cc2c(cc1I)OCO2 22a_100012557033_100000070787 [0,2,0,0,0,0|1,0,1]=4 1982 B15R2.964 CN(C)Cc1cc2c(cc1Br)OCO2 2230a_100102631434_100009995336 [0,2,0,0,0,0|1,0,1]=4 1983 B15R2.964 CN(C)Cc1cc2c(cc1Br)OCO2 269982a_100102631434_100009995336 [0,2,0,0,0,0|1,0,1]=4 1984 B15R2.964 CN(C)Cc1cc2c(cc1Br)OCO2 270004a_100102631434_100000186749 [0,2,0,0,0,0|1,0,1]=4 1985 B15R2.964 CN(C)Cc1cc2c(cc1Cl)OCO2 269982a_100102631434_100000043460 [0,2,0,0,0,0|1,0,1]=4 1986 B15R2.964 CN(C)Cc1cc2c(cc1Cl)OCO2 270004a_100102631434_100000015535 [0,2,0,0,0,0|1,0,1]=4 1987 B15R2.964 Cc1cc2c(cc1CN(C)C)OCO2 269982a_100102631434_200000112958 [0,2,0,0,0,0|1,0,1]=4 1988 B15R2.1503 C#CCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000038162 [0,2,0,0,0,0|0,0,2]=4 1989 B15R2.1503 C#CCNc1cc2c(cc1C)OCO2 34a_100000066439_100000184674 [0,2,0,0,0,0|0,0,2]=4 1990 B15R2.1503 C#CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000184674 [0,2,0,0,0,0|0,0,2]=4 1991 B15R2.1503 C#CCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000184674 [0,2,0,0,0,0|0,0,2]=4 1992 B15R2.1503 C#CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000038162 [0,2,0,0,0,0|0,0,2]=4 1993 B15R2.1503 C#CCOc1cc2c(cc1C)OCO2 34a_100000145572_100000184674 [0,2,0,0,0,0|0,0,2]=4 1994 B15R2.1503 C#CCOc1cc2c(cc1C)OCO2 7a_100000145572_100000038162 [0,2,0,0,0,0|0,0,2]=4 1995 B15R2.1503 C=CCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000210623 [0,2,0,0,0,0|0,0,0]=2 1996 B15R2.1503 C=CCNc1cc2c(cc1C)OCO2 34a_100000066439_100015514636 [0,2,0,0,0,0|0,0,0]=2 1997 B15R2.1503 C=CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100015514636 [0,2,0,0,0,0|0,0,0]=2 1998 B15R2.1503 C=CCOc1cc2c(cc1Br)CCC2 34a_200010659162_100015514636 [0,2,0,0,0,0|2,0,0]=4 1999 B15R2.1503 C=CCOc1cc2c(cc1Br)CCC2 7a_200010659162_100015514636 [0,2,0,0,0,0|2,0,0]=4 2000 B15R2.1503 C=CCOc1cc2c(cc1Br)OCO2 34a_100010290809_100015514636 [0,2,0,0,0,0|0,0,0]=2 2001 B15R2.1503 C=CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100015514636 [0,2,0,0,0,0|0,0,0]=2 2002 B15R2.1503 C=CCOc1cc2c(cc1C)OCO2 34a_100000145572_100015514636 [0,2,0,0,0,0|0,0,0]=2 2003 B15R2.1503 C=CCOc1cc2c(cc1C)OCO2 7a_100000145572_100015514636 [0,2,0,0,0,0|0,0,0]=2 2004 B15R2.1503 C=CCOc1cc2c(cc1F)CCC2 34a_200000146645_100015514636 [0,2,0,0,0,0|2,0,0]=4 2005 B15R2.1503 C=CCOc1cc2c(cc1F)CCC2 7a_200000146645_100015514636 [0,2,0,0,0,0|2,0,0]=4 2006 B15R2.1503 C=CCSc1cc2c(cc1F)NCC2 62a_100000210623_100012771920 [0,2,0,0,0,0|2,0,0]=4 2007 B15R2.1503 C=CCSc1cc2c(cc1F)NCC2 62a_100012771920_100000210623 [0,2,0,0,0,0|2,0,0]=4 2008 B15R2.1503 C=CCSc1cc2c(cc1N)OCO2 62a_100012557033_100000210623 [0,2,0,0,0,0|0,0,0]=2 2009 B15R2.1503 C=CCSc1cc2c(cc1O)CCC2 62a_100000210623_200010659162 [0,2,0,0,0,0|2,0,0]=4 2010 B15R2.1503 C=CCSc1cc2c(cc1O)CCC2 62a_200010659162_100000210623 [0,2,0,0,0,0|2,0,0]=4 2011 B15R2.1503 CCCCc1cc2c(cc1N)OCO2 271570a_100020621405_100012557033 [0,2,0,0,0,0|0,0,2]=4 2012 B15R2.1503 CCCCc1cc2c(cc1O)OCO2 271570a_100020621405_100010290809 [0,2,0,0,0,0|0,0,2]=4 2013 B15R2.1503 CCCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000210303 [0,2,0,0,0,0|0,0,2]=4 2014 B15R2.1503 CCCNc1cc2c(cc1C)OCO2 34a_100000066439_100000210303 [0,2,0,0,0,0|0,0,2]=4 2015 B15R2.1503 CCCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000210303 [0,2,0,0,0,0|0,0,2]=4 2016 B15R2.1503 CCCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000210303 [0,2,0,0,0,0|0,0,2]=4 2017 B15R2.1503 CCCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000210303 [0,2,0,0,0,0|0,0,2]=4 2018 B15R2.1503 CCCOc1cc2c(cc1C)OCO2 34a_100000145572_100000210303 [0,2,0,0,0,0|0,0,2]=4 2019 B15R2.1503 CCCOc1cc2c(cc1C)OCO2 7a_100000145572_100000210303 [0,2,0,0,0,0|0,0,2]=4 2020 B15R2.1503 CCCSc1cc2c(cc1N)OCO2 62a_100012557033_100000210303 [0,2,0,0,0,0|0,0,2]=4 2021 B15R2.1503 CCNCc1cc2c(cc1Br)OCO2 2230a_100015525214_100009995336 [0,2,0,0,0,0|0,0,2]=4 2022 B15R2.1503 CCNCc1cc2c(cc1Br)OCO2 2230a_200011199097_100000210202 [0,2,0,0,0,0|0,0,2]=4 2023 B15R2.1503 CCNCc1cc2c(cc1Br)OCO2 270004a_100015525214_100000186749 [0,2,0,0,0,0|0,0,2]=4 2024 B15R2.1503 CCNCc1cc2c(cc1Cl)OCO2 207a_100015525214_100000015535 [0,2,0,0,0,0|0,0,2]=4 2025 B15R2.1503 CCNCc1cc2c(cc1Cl)OCO2 270004a_100015525214_100000015535 [0,2,0,0,0,0|0,0,2]=4 2026 B15R2.1503 CCOCc1cc2c(cc1Br)OCO2 34a_100000187691_100000210202 [0,2,0,0,0,0|0,0,2]=4 2027 B15R2.1503 CCOCc1cc2c(cc1Br)OCO2 34a_100121572206_100009995336 [0,2,0,0,0,0|0,0,2]=4 2028 B15R2.1503 CCOCc1cc2c(cc1Br)OCO2 7a_100000187691_100000210202 [0,2,0,0,0,0|0,0,2]=4 2029 B15R2.1503 CCOCc1cc2c(cc1Cl)OCO2 34a_200000238738_100000210202 [0,2,0,0,0,0|0,0,2]=4 2030 B15R2.1503 CCOCc1cc2c(cc1Cl)OCO2 7a_200000238738_100000210202 [0,2,0,0,0,0|0,0,2]=4 2031 B15R2.1503 CCSCc1cc2c(cc1Br)OCO2 62a_100009995336_100000210202 [0,2,0,0,0,0|0,0,2]=4 2032 B15R2.1503 CCSCc1cc2c(cc1Cl)OCO2 62a_100000043460_100000210202 [0,2,0,0,0,0|0,0,2]=4 2033 B15R2.1503 COCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000766300 [0,2,0,0,0,0|1,0,1]=4 2034 B15R2.1503 COCSc1cc2c(cc1N)OCO2 62a_100012557033_100000766300 [0,2,0,0,0,0|1,0,1]=4 2035 B15R2.1503 CSCNc1cc2c(cc1C)OCO2 2230a_100000066439_100011218213 [0,2,0,0,0,0|1,0,1]=4 2036 B15R2.1503 CSCNc1cc2c(cc1C)OCO2 34a_100000066439_100011218213 [0,2,0,0,0,0|1,0,1]=4 2037 B15R2.1503 CSCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100011218213 [0,2,0,0,0,0|1,0,1]=4 2038 B15R2.1503 CSCOc1cc2c(cc1Br)OCO2 34a_100010290809_100011218213 [0,2,0,0,0,0|1,0,1]=4 2039 B15R2.1503 CSCOc1cc2c(cc1C)OCO2 34a_100000145572_100011218213 [0,2,0,0,0,0|1,0,1]=4 2040 B15R2.1503 CSCSc1cc2c(cc1N)OCO2 62a_100012557033_100011218213 [0,2,0,0,0,0|1,0,1]=4 2041 B15R2.1503 Cc1cc2c(cc1NCC#N)OCO2 2230a_100000066439_100011215382 [0,2,0,0,0,0|1,0,1]=4 2042 B15R2.1503 Cc1cc2c(cc1NCC=O)OCO2 2230a_100000066439_200015260668 [0,2,0,0,0,0|1,0,0]=3 2043 B15R2.1503 Cc1cc2c(cc1NCC=O)OCO2 34a_100000066439_200009817547 [0,2,0,0,0,0|1,0,0]=3 2044 B15R2.1503 Cc1cc2c(cc1NCCF)OCO2 2230a_100000066439_100011217306 [0,2,0,0,0,0|1,0,1]=4 2045 B15R2.1503 Cc1cc2c(cc1NCCF)OCO2 34a_100000066439_100011217306 [0,2,0,0,0,0|1,0,1]=4 2046 B15R2.1503 Cc1cc2c(cc1NCCO)OCO2 2230a_100000066439_100000211926 [0,2,0,0,0,0|1,0,1]=4 2047 B15R2.1503 Cc1cc2c(cc1NCCO)OCO2 34a_100000066439_100000211926 [0,2,0,0,0,0|1,0,1]=4 2048 B15R2.1503 Cc1cc2c(cc1OCC#N)OCO2 7a_100000145572_100011215382 [0,2,0,0,0,0|1,0,1]=4 2049 B15R2.1503 Cc1cc2c(cc1OCC=O)OCO2 34a_100000145572_200009817547 [0,2,0,0,0,0|1,0,0]=3 2050 B15R2.1503 Cc1cc2c(cc1OCC=O)OCO2 7a_100000145572_200015260668 [0,2,0,0,0,0|1,0,0]=3 2051 B15R2.1503 Cc1cc2c(cc1OCCF)OCO2 34a_100000145572_100011217306 [0,2,0,0,0,0|1,0,1]=4 2052 B15R2.1503 Cc1cc2c(cc1OCCF)OCO2 7a_100000145572_100011217306 [0,2,0,0,0,0|1,0,1]=4 2053 B15R2.1503 Cc1cc2c(cc1OCCO)OCO2 34a_100000145572_100000211926 [0,2,0,0,0,0|1,0,1]=4 2054 B15R2.1503 Cc1cc2c(cc1OCCO)OCO2 7a_100000145572_100000211926 [0,2,0,0,0,0|1,0,1]=4 2055 B15R2.1503 FCCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100011217306 [0,2,0,0,0,0|1,0,1]=4 2056 B15R2.1503 FCCOc1cc2c(cc1Br)OCO2 34a_100010290809_100011217306 [0,2,0,0,0,0|1,0,1]=4 2057 B15R2.1503 FCCOc1cc2c(cc1Br)OCO2 7a_100010290809_100011217306 [0,2,0,0,0,0|1,0,1]=4 2058 B15R2.1503 FCOCc1cc2c(cc1Br)OCO2 34a_100000187691_100015361967 [0,2,0,0,0,0|1,0,1]=4 2059 B15R2.1503 FCOCc1cc2c(cc1Br)OCO2 7a_100000187691_100015361967 [0,2,0,0,0,0|1,0,1]=4 2060 B15R2.1503 FCOCc1cc2c(cc1Cl)OCO2 34a_200000238738_100015361967 [0,2,0,0,0,0|1,0,1]=4 2061 B15R2.1503 FCOCc1cc2c(cc1Cl)OCO2 7a_200000238738_100015361967 [0,2,0,0,0,0|1,0,1]=4 2062 B15R2.1503 FCSCc1cc2c(cc1Br)OCO2 62a_100009995336_100015361967 [0,2,0,0,0,0|1,0,1]=4 2063 B15R2.1503 FCSCc1cc2c(cc1Cl)OCO2 62a_100000043460_100015361967 [0,2,0,0,0,0|1,0,1]=4 2064 B15R2.1503 N#CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100011215382 [0,2,0,0,0,0|1,0,1]=4 2065 B15R2.1503 N#CCSc1cc2c(cc1N)OCO2 62a_100012557033_100011215382 [0,2,0,0,0,0|1,0,1]=4 2066 B15R2.1503 Nc1cc2c(cc1SCC=O)OCO2 62a_100012557033_200015260668 [0,2,0,0,0,0|1,0,0]=3 2067 B15R2.1503 Nc1cc2c(cc1SCCF)OCO2 62a_100012557033_100011217306 [0,2,0,0,0,0|1,0,1]=4 2068 B15R2.1503 Nc1cc2c(cc1SCCO)OCO2 62a_100012557033_100000211926 [0,2,0,0,0,0|1,0,1]=4 2069 B15R2.1503 O=CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_200009817547 [0,2,0,0,0,0|1,0,0]=3 2070 B15R2.1503 O=CCOc1cc2c(cc1Br)OCO2 34a_100010290809_200009817547 [0,2,0,0,0,0|1,0,0]=3 2071 B15R2.1503 O=CCOc1cc2c(cc1Br)OCO2 7a_100010290809_200015260668 [0,2,0,0,0,0|1,0,0]=3 2072 B15R2.1503 OCCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000211926 [0,2,0,0,0,0|1,0,1]=4 2073 B15R2.1503 OCCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000211926 [0,2,0,0,0,0|1,0,1]=4 2074 B15R2.1503 OCCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000211926 [0,2,0,0,0,0|1,0,1]=4 2075 B15R2.2215 C=C=Cc1cc2c(cc1C=O)OCO2 271570a_100015277604_100000186749 [0,2,0,0,0,0|0,0,2]=4 2076 B15R2.2215 C=C=Cc1cc2c(cc1CN)OCO2 271570a_100015277604_200011199097 [0,2,0,0,0,0|0,0,2]=4 2077 B15R2.2215 C=C=Cc1cc2c(cc1CO)OCO2 271570a_100015277604_100000187691 [0,2,0,0,0,0|0,0,2]=4 2078 B15R2.2215 CC=Cc1cc2c(cc1C=O)OCO2 271570a_100016259895_100000186749 [0,2,0,0,0,0|0,0,2]=4 2079 B15R2.2215 CC=Cc1cc2c(cc1CN)OCO2 271570a_100016259895_200011199097 [0,2,0,0,0,0|0,0,2]=4 2080 B15R2.2215 CC=Cc1cc2c(cc1CO)OCO2 271570a_100016259895_100000187691 [0,2,0,0,0,0|0,0,2]=4 2081 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 207a_100102657272_100000186743 [0,2,0,0,0,0|1,0,1]=4 2082 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 270004a_106832991635_100000186743 [0,2,0,0,0,0|1,0,1]=4 2083 B15R2.1507 C=CCOc1cc(c2occc2c1)Br 34a_200010248604_100015514636 [0,2,0,0,0,0|1,0,1]=4 2084 B15R2.1507 C=CCOc1cc(c2occc2c1)Br 7a_200010248604_100015514636 [0,2,0,0,0,0|1,0,1]=4 2085 B15R2.1507 C=CCSc1cc(c2occc2c1)C 62a_100000210623_100012361858 [0,2,0,0,0,0|1,0,1]=4 2086 B15R2.1507 C=CCSc1cc(c2occc2c1)F 62a_100000210623_100012355474 [0,2,0,0,0,0|1,0,1]=4 2087 B15R2.1507 CCNCc1cc(c2c(c1)OCO2)Br 207a_100015525214_100000682445 [0,2,0,0,0,0|0,0,2]=4 2088 B15R2.1507 CCNCc1cc(c2c(c1)OCO2)Br 270004a_100015525214_100000682445 [0,2,0,0,0,0|0,0,2]=4 2089 B15R2.1507 CCNCc1cc(c2c(c1)OCO2)Cl 207a_100015525214_100000016197 [0,2,0,0,0,0|0,0,2]=4 2090 B15R2.1507 CCNCc1cc(c2c(c1)OCO2)Cl 270004a_100015525214_100000016197 [0,2,0,0,0,0|0,0,2]=4 2091 B15R2.1507 CCOCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_100000210202 [0,2,0,0,0,0|0,0,2]=4 2092 B15R2.1507 CCOCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_100000210202 [0,2,0,0,0,0|0,0,2]=4 2093 B15R2.1507 FCOCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_100015361967 [0,2,0,0,0,0|1,0,1]=4 2094 B15R2.1507 FCOCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_100015361967 [0,2,0,0,0,0|1,0,1]=4 2095 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 207a_100102657272_100000185029 [0,2,0,0,0,0|1,0,1]=4 2096 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 2230a_100025755791_200000210301 [0,2,0,0,0,0|1,0,1]=4 2097 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 34a_100025755791_200000210301 [0,2,0,0,0,0|1,0,1]=4 2098 B15R2.4367 COc1cc(cc2c1OCO2)CN[13CH3] 2230a_100025755791_200025704644 [0,2,0,0,0,0|1,0,1]=4 2099 B15R2.4367 COc1cc(cc2c1OCO2)CN[13CH3] 34a_100025755791_200025704644 [0,2,0,0,0,0|1,0,1]=4 2100 B15R2.14950 CN(C)Cc1cc(c2c(c1)OCO2)Br 270004a_100102631434_100000682445 [0,2,0,0,0,0|1,0,1]=4 2101 B15R2.14950 CN(C)Cc1cc(c2c(c1)OCO2)Cl 270004a_100102631434_100000016197 [0,2,0,0,0,0|1,0,1]=4 2102 B15R2.656 C=C=Cc1ccc2c(c1C=O)OCO2 271570a_100015277604_100009816621 [0,2,0,0,0,0|0,0,2]=4 2103 B15R2.656 CC=Cc1ccc2c(c1C=O)OCO2 271570a_100016259895_100009816621 [0,2,0,0,0,0|0,0,2]=4 2104 B15R2.1636 C=CCSc1ccc2c(c1C)OCO2 62a_100010335860_100000210623 [0,2,0,0,0,0|0,0,0]=2 2105 B15R2.1636 C=CCSc1ccc2c(c1F)CCN2 62a_100000210623_100011013764 [0,2,0,0,0,0|2,0,0]=4 2106 B15R2.1636 C=CCSc1ccc2c(c1F)CCN2 62a_100011013764_100000210623 [0,2,0,0,0,0|2,0,0]=4 2107 B15R2.1636 C=CCSc1ccc2c(c1F)OCO2 62a_100010223184_100000210623 [0,2,0,0,0,0|0,0,0]=2 2108 B15R2.1636 C=CCSc1ccc2c(c1N)CCC2 62a_100000210623_202495424074 [0,2,0,0,0,0|2,0,0]=4 2109 B15R2.1636 C=CCSc1ccc2c(c1N)CCC2 62a_202495424074_100000210623 [0,2,0,0,0,0|2,0,0]=4 2110 B15R2.1636 C=CCSc1ccc2c(c1O)CCC2 62a_100000210623_100010662108 [0,2,0,0,0,0|2,0,0]=4 2111 B15R2.1636 C=CCSc1ccc2c(c1O)CCC2 62a_100010662108_100000210623 [0,2,0,0,0,0|2,0,0]=4 2112 B15R2.1636 CCCCc1ccc2c(c1C)OCO2 271570a_100020621405_100010335860 [0,2,0,0,0,0|0,0,2]=4 2113 B15R2.1636 CCCCc1ccc2c(c1F)OCO2 271570a_100020621405_100010223184 [0,2,0,0,0,0|0,0,2]=4 2114 B15R2.1636 CCCSc1ccc2c(c1C)OCO2 62a_100010335860_100000210303 [0,2,0,0,0,0|0,0,2]=4 2115 B15R2.1636 CCCSc1ccc2c(c1F)OCO2 62a_100010223184_100000210303 [0,2,0,0,0,0|0,0,2]=4 2116 B15R2.1636 COCSc1ccc2c(c1C)OCO2 62a_100010335860_100000766300 [0,2,0,0,0,0|1,0,1]=4 2117 B15R2.1636 COCSc1ccc2c(c1F)OCO2 62a_100010223184_100000766300 [0,2,0,0,0,0|1,0,1]=4 2118 B15R2.1636 CSCSc1ccc2c(c1C)OCO2 62a_100010335860_100011218213 [0,2,0,0,0,0|1,0,1]=4 2119 B15R2.1636 CSCSc1ccc2c(c1F)OCO2 62a_100010223184_100011218213 [0,2,0,0,0,0|1,0,1]=4 2120 B15R2.1636 Cc1c(ccc2c1OCO2)SCC#N 62a_100010335860_100011215382 [0,2,0,0,0,0|1,0,1]=4 2121 B15R2.1636 Cc1c(ccc2c1OCO2)SCC=O 62a_100010335860_200015260668 [0,2,0,0,0,0|1,0,0]=3 2122 B15R2.1636 Cc1c(ccc2c1OCO2)SCCF 62a_100010335860_100011217306 [0,2,0,0,0,0|1,0,1]=4 2123 B15R2.1636 Cc1c(ccc2c1OCO2)SCCO 62a_100010335860_100000211926 [0,2,0,0,0,0|1,0,1]=4 2124 B15R2.1636 FCCSc1ccc2c(c1F)OCO2 62a_100010223184_100011217306 [0,2,0,0,0,0|1,0,1]=4 2125 B15R2.1636 N#CCSc1ccc2c(c1F)OCO2 62a_100010223184_100011215382 [0,2,0,0,0,0|1,0,1]=4 2126 B15R2.1636 O=CCSc1ccc2c(c1F)OCO2 62a_100010223184_200015260668 [0,2,0,0,0,0|1,0,0]=3 2127 B15R2.1636 OCCSc1ccc2c(c1F)OCO2 62a_100010223184_100000211926 [0,2,0,0,0,0|1,0,1]=4 2128 B15R2.43323 CC(=Cc1ccc2c(c1C)OCO2)C 271570a_100102525489_100010335860 [0,2,0,0,0,0|0,0,2]=4 2129 B15R2.43323 CC(=Cc1ccc2c(c1F)OCO2)C 271570a_100102525489_100010223184 [0,2,0,0,0,0|0,0,2]=4 2130 B15R2.1198 CCC(NC)c1ccc2c(c1)OCO2 269862a_106832991636_200011217896 [0,2,0,0,0,0|0,0,2]=4 2131 B15R2.1350 C#CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000184674 [0,2,0,0,0,0|0,0,2]=4 2132 B15R2.1350 C=CCC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_100000210623 [0,2,0,0,0,0|2,0,0]=4 2133 B15R2.1350 C=CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210623 [0,2,0,0,0,0|1,0,0]=3 2134 B15R2.1350 C=CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210623 [0,2,0,0,0,0|0,0,0]=2 2135 B15R2.1350 C=CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210623 [0,2,0,0,0,0|1,0,1]=4 2136 B15R2.1350 C=CCC(=O)c1ccc2ncoc2c1 1458a_100000750374_100000210623 [0,2,0,0,0,0|1,0,1]=4 2137 B15R2.1350 C=CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210623 [0,2,0,0,0,0|1,0,1]=4 2138 B15R2.1350 C=CCC(=O)c1ccc2ocnc2c1 1458a_100000238527_100000210623 [0,2,0,0,0,0|1,0,1]=4 2139 B15R2.1350 CC(OCF)c1ccc2c(c1)OCO2 34a_100000741967_100015361967 [0,2,0,0,0,0|1,0,1]=4 2140 B15R2.1350 CC(OCF)c1ccc2c(c1)OCO2 7a_100000741967_100015361967 [0,2,0,0,0,0|1,0,1]=4 2141 B15R2.1350 CCCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210303 [0,2,0,0,0,0|0,0,2]=4 2142 B15R2.1350 CCNC(C)c1ccc2c(c1)OCO2 269862a_100015525214_100000211065 [0,2,0,0,0,0|0,0,2]=4 2143 B15R2.1350 CCN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_100000210202 [0,2,0,0,0,0|0,0,2]=4 2144 B15R2.1350 CCOC(C)c1ccc2c(c1)OCO2 34a_100000741967_100000210202 [0,2,0,0,0,0|0,0,2]=4 2145 B15R2.1350 CCOC(C)c1ccc2c(c1)OCO2 7a_100000741967_100000210202 [0,2,0,0,0,0|0,0,2]=4 2146 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 2230a_200016989596_200000210301 [0,2,0,0,0,0|1,0,1]=4 2147 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 269982a_200016989596_200000210301 [0,2,0,0,0,0|1,0,1]=4 2148 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 34a_200016989596_200000210301 [0,2,0,0,0,0|1,0,1]=4 2149 B15R2.1350 CNCC(=O)c1ccc2c(c1)OCO2 7a_106832991635_100000181162 [0,2,0,0,0,0|1,0,1]=4 2150 B15R2.1350 CSCC(=O)c1ccc2c(c1)OCO2 62a_100000181162_200000210301 [0,2,0,0,0,0|1,0,1]=4 2151 B15R2.1350 N#CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100011214920 [0,2,0,0,0,0|1,0,1]=4 2152 B15R2.1350 O=C(CCF)c1ccc2c(c1)OCO2 1458a_100000210863_100011217306 [0,2,0,0,0,0|1,0,1]=4 2153 B15R2.1350 O=C(CCO)c1ccc2c(c1)OCO2 1458a_100000210863_100000211926 [0,2,0,0,0,0|1,0,1]=4 2154 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 2230a_200016989596_200025704644 [0,2,0,0,0,0|1,0,1]=4 2155 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 269982a_200016989596_200025704644 [0,2,0,0,0,0|1,0,1]=4 2156 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 34a_200016989596_200025704644 [0,2,0,0,0,0|1,0,1]=4 2157 B15R2.1350 [13CH3]SCC(=O)c1ccc2c(c1)OCO2 62a_100000181162_200025704644 [0,2,0,0,0,0|1,0,1]=4 2158 B15R2.4239 CC(=C(C)c1ccc2c(c1)OCO2)C 271570a_200000049429_100000688060 [0,2,0,0,0,0|0,0,2]=4 2159 B15R2.4239 CC(=O)C(O)c1ccc2c(c1)OCO2 1458a_200011216465_200000210301 [0,2,0,0,0,0|0,0,1]=3 2160 B15R2.4239 [13CH3]C(=O)C(O)c1ccc2c(c1)OCO2 1458a_200011216465_200025704644 [0,2,0,0,0,0|0,0,1]=3 2161 B15R2.2123 BrCCOCc1ccc2c(c1)OCO2 34a_100000211926_100000189651 [0,2,0,0,0,0|0,0,2]=4 2162 B15R2.2123 C#CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000688953 [0,2,0,0,0,0|0,0,2]=4 2163 B15R2.2123 C#CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000688953 [0,2,0,0,0,0|0,0,2]=4 2164 B15R2.2123 C#CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000688953 [0,2,0,0,0,0|0,0,2]=4 2165 B15R2.2123 C#CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000038162 [0,2,0,0,0,0|0,0,2]=4 2166 B15R2.2123 C#CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000184674 [0,2,0,0,0,0|0,0,2]=4 2167 B15R2.2123 C#CCNCc1ccc2c(c1)OCO2 34a_100000212058_100000189651 [0,2,0,0,0,0|0,0,2]=4 2168 B15R2.2123 C#CCOCc1ccc2c(c1)OCO2 34a_100000210247_100000189651 [0,2,0,0,0,0|0,0,2]=4 2169 B15R2.2123 C#CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000184674 [0,2,0,0,0,0|0,0,2]=4 2170 B15R2.2123 C/C=C/CNc1ccc2c(c1)CCC2 34a_100000211504_100102629194 [0,2,0,0,0,0|2,0,0]=4 2171 B15R2.2123 C/C=C/CNc1ccc2c(c1)CCO2 34a_100000736984_100102629194 [0,2,0,0,0,0|1,0,0]=3 2172 B15R2.2123 C/C=C/CNc1ccc2c(c1)OCO2 34a_100000209953_100102629194 [0,2,0,0,0,0|0,0,0]=2 2173 B15R2.2123 C/C=C/CNc1ccc2ccoc2c1 34a_100000102395_100102629194 [0,2,0,0,0,0|1,0,1]=4 2174 B15R2.2123 C/C=C/CNc1ccc2cnoc2c1 34a_100000084182_100102629194 [0,2,0,0,0,0|2,0,0]=4 2175 B15R2.2123 C/C=C/CNc1ccc2ncoc2c1 34a_100011248239_100102629194 [0,2,0,0,0,0|1,0,1]=4 2176 B15R2.2123 C/C=C/CNc1ccc2occc2c1 34a_106430523501_100102629194 [0,2,0,0,0,0|1,0,1]=4 2177 B15R2.2123 C/C=C/CNc1ccc2ocnc2c1 34a_100011219863_100102629194 [0,2,0,0,0,0|1,0,1]=4 2178 B15R2.2123 C/C=C/CNc1ccc2oncc2c1 34a_100000037595_100102629194 [0,2,0,0,0,0|2,0,0]=4 2179 B15R2.2123 C/C=C/COc1ccc2c(c1)CCC2 34a_100000209987_100102629194 [0,2,0,0,0,0|2,0,0]=4 2180 B15R2.2123 C/C=C/COc1ccc2c(c1)CCC2 7a_100000209987_100102629194 [0,2,0,0,0,0|2,0,0]=4 2181 B15R2.2123 C/C=C/COc1ccc2c(c1)CCN2 34a_100020636429_100102629194 [0,2,0,0,0,0|2,0,0]=4 2182 B15R2.2123 C/C=C/COc1ccc2c(c1)NCC2 34a_100020636427_100102629194 [0,2,0,0,0,0|2,0,0]=4 2183 B15R2.2123 C/C=C/COc1ccc2c(c1)OCO2 34a_100000210298_100102629194 [0,2,0,0,0,0|0,0,0]=2 2184 B15R2.2123 C/C=C/COc1ccc2ccoc2c1 34a_100000089557_100102629194 [0,2,0,0,0,0|1,0,1]=4 2185 B15R2.2123 C/C=C/COc1ccc2ccoc2c1 7a_100000089557_100102629194 [0,2,0,0,0,0|1,0,1]=4 2186 B15R2.2123 C/C=C/COc1ccc2cnoc2c1 34a_100000098417_100102629194 [0,2,0,0,0,0|2,0,0]=4 2187 B15R2.2123 C/C=C/COc1ccc2cnoc2c1 7a_100000098417_100102629194 [0,2,0,0,0,0|2,0,0]=4 2188 B15R2.2123 C/C=C/COc1ccc2occc2c1 34a_100000070125_100102629194 [0,2,0,0,0,0|1,0,1]=4 2189 B15R2.2123 C/C=C/COc1ccc2occc2c1 7a_100000070125_100102629194 [0,2,0,0,0,0|1,0,1]=4 2190 B15R2.2123 C/C=C/CSc1cc2c(cn1)OCC2 62a_100102629194_102495363667 [0,2,0,0,0,0|2,0,0]=4 2191 B15R2.2123 C/C=C/CSc1cc2c(cn1)OCC2 62a_102495363667_100102629194 [0,2,0,0,0,0|2,0,0]=4 2192 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCC2 62a_100000745594_100102629194 [0,2,0,0,0,0|2,0,0]=4 2193 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCC2 62a_100102629194_100000745594 [0,2,0,0,0,0|2,0,0]=4 2194 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCN2 62a_100000691068_100102629194 [0,2,0,0,0,0|2,0,0]=4 2195 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCN2 62a_100102629194_100000691068 [0,2,0,0,0,0|2,0,0]=4 2196 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCO2 62a_100000729065_100102629194 [0,2,0,0,0,0|1,0,0]=3 2197 B15R2.2123 C/C=C/CSc1ccc2c(c1)CCO2 62a_100102629194_100000729065 [0,2,0,0,0,0|1,0,0]=3 2198 B15R2.2123 C/C=C/CSc1ccc2c(c1)NCC2 62a_100000754641_100102629194 [0,2,0,0,0,0|2,0,0]=4 2199 B15R2.2123 C/C=C/CSc1ccc2c(c1)NCC2 62a_100102629194_100000754641 [0,2,0,0,0,0|2,0,0]=4 2200 B15R2.2123 C/C=C/CSc1ccc2c(c1)OCC2 62a_100009818566_100102629194 [0,2,0,0,0,0|1,0,0]=3 2201 B15R2.2123 C/C=C/CSc1ccc2c(c1)OCC2 62a_100102629194_100009818566 [0,2,0,0,0,0|1,0,0]=3 2202 B15R2.2123 C/C=C/CSc1ccc2ccoc2c1 62a_100102629194_100000759542 [0,2,0,0,0,0|1,0,1]=4 2203 B15R2.2123 C/C=C/CSc1ccc2cnoc2c1 62a_100102629194_100009817722 [0,2,0,0,0,0|2,0,0]=4 2204 B15R2.2123 C/C=C/CSc1ccc2ncoc2c1 62a_100102629194_100009817590 [0,2,0,0,0,0|1,0,1]=4 2205 B15R2.2123 C/C=C/CSc1ccc2occc2c1 62a_100102629194_100000691453 [0,2,0,0,0,0|1,0,1]=4 2206 B15R2.2123 C/C=C/CSc1ccc2ocnc2c1 62a_100102629194_100009816175 [0,2,0,0,0,0|1,0,1]=4 2207 B15R2.2123 C/C=C/CSc1ccc2oncc2c1 62a_100102629194_100009817723 [0,2,0,0,0,0|2,0,0]=4 2208 B15R2.2123 C=CCCNc1ccc2c(c1)CCC2 2230a_100000211504_100000754431 [0,2,0,0,0,0|2,0,0]=4 2209 B15R2.2123 C=CCCNc1ccc2c(c1)CCC2 34a_100000211504_100000754431 [0,2,0,0,0,0|2,0,0]=4 2210 B15R2.2123 C=CCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000754431 [0,2,0,0,0,0|1,0,0]=3 2211 B15R2.2123 C=CCCNc1ccc2c(c1)CCO2 34a_100000736984_100000754431 [0,2,0,0,0,0|1,0,0]=3 2212 B15R2.2123 C=CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000754431 [0,2,0,0,0,0|0,0,0]=2 2213 B15R2.2123 C=CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000754431 [0,2,0,0,0,0|0,0,0]=2 2214 B15R2.2123 C=CCCNc1ccc2ccoc2c1 34a_100000102395_100000754431 [0,2,0,0,0,0|1,0,1]=4 2215 B15R2.2123 C=CCCNc1ccc2cnoc2c1 34a_100000084182_100000754431 [0,2,0,0,0,0|2,0,0]=4 2216 B15R2.2123 C=CCCNc1ccc2ncoc2c1 34a_100011248239_100000754431 [0,2,0,0,0,0|1,0,1]=4 2217 B15R2.2123 C=CCCNc1ccc2occc2c1 34a_106430523501_100000754431 [0,2,0,0,0,0|1,0,1]=4 2218 B15R2.2123 C=CCCNc1ccc2ocnc2c1 34a_100011219863_100000754431 [0,2,0,0,0,0|1,0,1]=4 2219 B15R2.2123 C=CCCNc1ccc2oncc2c1 34a_100000037595_100000754431 [0,2,0,0,0,0|2,0,0]=4 2220 B15R2.2123 C=CCCOc1ccc2c(c1)CCC2 34a_100000209987_100000754431 [0,2,0,0,0,0|2,0,0]=4 2221 B15R2.2123 C=CCCOc1ccc2c(c1)CCC2 7a_100000209987_100000754431 [0,2,0,0,0,0|2,0,0]=4 2222 B15R2.2123 C=CCCOc1ccc2c(c1)CCN2 34a_100020636429_100000754431 [0,2,0,0,0,0|2,0,0]=4 2223 B15R2.2123 C=CCCOc1ccc2c(c1)NCC2 34a_100020636427_100000754431 [0,2,0,0,0,0|2,0,0]=4 2224 B15R2.2123 C=CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000754431 [0,2,0,0,0,0|0,0,0]=2 2225 B15R2.2123 C=CCCOc1ccc2ccoc2c1 34a_100000089557_100000754431 [0,2,0,0,0,0|1,0,1]=4 2226 B15R2.2123 C=CCCOc1ccc2ccoc2c1 7a_100000089557_100000754431 [0,2,0,0,0,0|1,0,1]=4 2227 B15R2.2123 C=CCCOc1ccc2cnoc2c1 34a_100000098417_100000754431 [0,2,0,0,0,0|2,0,0]=4 2228 B15R2.2123 C=CCCOc1ccc2cnoc2c1 7a_100000098417_100000754431 [0,2,0,0,0,0|2,0,0]=4 2229 B15R2.2123 C=CCCOc1ccc2occc2c1 34a_100000070125_100000754431 [0,2,0,0,0,0|1,0,1]=4 2230 B15R2.2123 C=CCCOc1ccc2occc2c1 7a_100000070125_100000754431 [0,2,0,0,0,0|1,0,1]=4 2231 B15R2.2123 C=CCCSc1cc2c(cn1)OCC2 62a_100000754431_102495363667 [0,2,0,0,0,0|2,0,0]=4 2232 B15R2.2123 C=CCCSc1cc2c(cn1)OCC2 62a_102495363667_100000754431 [0,2,0,0,0,0|2,0,0]=4 2233 B15R2.2123 C=CCCSc1ccc2c(c1)CCC2 62a_100000745594_100000754431 [0,2,0,0,0,0|2,0,0]=4 2234 B15R2.2123 C=CCCSc1ccc2c(c1)CCC2 62a_100000754431_100000745594 [0,2,0,0,0,0|2,0,0]=4 2235 B15R2.2123 C=CCCSc1ccc2c(c1)CCN2 62a_100000691068_100000754431 [0,2,0,0,0,0|2,0,0]=4 2236 B15R2.2123 C=CCCSc1ccc2c(c1)CCN2 62a_100000754431_100000691068 [0,2,0,0,0,0|2,0,0]=4 2237 B15R2.2123 C=CCCSc1ccc2c(c1)CCO2 62a_100000729065_100000754431 [0,2,0,0,0,0|1,0,0]=3 2238 B15R2.2123 C=CCCSc1ccc2c(c1)CCO2 62a_100000754431_100000729065 [0,2,0,0,0,0|1,0,0]=3 2239 B15R2.2123 C=CCCSc1ccc2c(c1)NCC2 62a_100000754431_100000754641 [0,2,0,0,0,0|2,0,0]=4 2240 B15R2.2123 C=CCCSc1ccc2c(c1)NCC2 62a_100000754641_100000754431 [0,2,0,0,0,0|2,0,0]=4 2241 B15R2.2123 C=CCCSc1ccc2c(c1)OCC2 62a_100000754431_100009818566 [0,2,0,0,0,0|1,0,0]=3 2242 B15R2.2123 C=CCCSc1ccc2c(c1)OCC2 62a_100009818566_100000754431 [0,2,0,0,0,0|1,0,0]=3 2243 B15R2.2123 C=CCCSc1ccc2ccoc2c1 62a_100000754431_100000759542 [0,2,0,0,0,0|1,0,1]=4 2244 B15R2.2123 C=CCCSc1ccc2cnoc2c1 62a_100000754431_100009817722 [0,2,0,0,0,0|2,0,0]=4 2245 B15R2.2123 C=CCCSc1ccc2ncoc2c1 62a_100000754431_100009817590 [0,2,0,0,0,0|1,0,1]=4 2246 B15R2.2123 C=CCCSc1ccc2occc2c1 62a_100000754431_100000691453 [0,2,0,0,0,0|1,0,1]=4 2247 B15R2.2123 C=CCCSc1ccc2ocnc2c1 62a_100000754431_100009816175 [0,2,0,0,0,0|1,0,1]=4 2248 B15R2.2123 C=CCCSc1ccc2oncc2c1 62a_100000754431_100009817723 [0,2,0,0,0,0|2,0,0]=4 2249 B15R2.2123 C=CCNCc1ccc2c(c1)CCC2 270004a_100020586998_100000765347 [0,2,0,0,0,0|2,0,0]=4 2250 B15R2.2123 C=CCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000210623 [0,2,0,0,0,0|1,0,0]=3 2251 B15R2.2123 C=CCNCc1ccc2c(c1)CCO2 270004a_100020586998_100011218456 [0,2,0,0,0,0|1,0,0]=3 2252 B15R2.2123 C=CCNCc1ccc2c(c1)CCO2 34a_100011219410_100015514636 [0,2,0,0,0,0|1,0,0]=3 2253 B15R2.2123 C=CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210623 [0,2,0,0,0,0|0,0,0]=2 2254 B15R2.2123 C=CCNCc1ccc2c(c1)OCO2 34a_100000210006_100015514636 [0,2,0,0,0,0|0,0,0]=2 2255 B15R2.2123 C=CCNCc1ccc2ncoc2c1 2230a_100020586998_106359897996 [0,2,0,0,0,0|1,0,1]=4 2256 B15R2.2123 C=CCNCc1ccc2ncoc2c1 270004a_100020586998_100000059852 [0,2,0,0,0,0|1,0,1]=4 2257 B15R2.2123 C=CCNCc1ccc2occc2c1 2230a_100020591328_100000210623 [0,2,0,0,0,0|1,0,1]=4 2258 B15R2.2123 C=CCNCc1ccc2occc2c1 270004a_100020586998_100000040644 [0,2,0,0,0,0|1,0,1]=4 2259 B15R2.2123 C=CCNCc1ccc2occc2c1 34a_100020591328_100015514636 [0,2,0,0,0,0|1,0,1]=4 2260 B15R2.2123 C=CCNCc1ccc2ocnc2c1 2230a_100020586998_200010203175 [0,2,0,0,0,0|1,0,1]=4 2261 B15R2.2123 C=CCNCc1ccc2ocnc2c1 270004a_100020586998_100010271902 [0,2,0,0,0,0|1,0,1]=4 2262 B15R2.2123 C=CCOCc1ccc2c(c1)CCC2 34a_200000765175_100015514636 [0,2,0,0,0,0|2,0,0]=4 2263 B15R2.2123 C=CCOCc1ccc2c(c1)CCC2 7a_200000765175_100015514636 [0,2,0,0,0,0|2,0,0]=4 2264 B15R2.2123 C=CCOCc1ccc2c(c1)CCO2 34a_100011219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 2265 B15R2.2123 C=CCOCc1ccc2c(c1)CCO2 7a_100011219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 2266 B15R2.2123 C=CCOCc1ccc2c(c1)NCC2 34a_100000694088_100015514636 [0,2,0,0,0,0|2,0,0]=4 2267 B15R2.2123 C=CCOCc1ccc2c(c1)OCO2 34a_100000210967_100015514636 [0,2,0,0,0,0|0,0,0]=2 2268 B15R2.2123 C=CCOCc1ccc2c(c1)OCO2 34a_200000210373_100000189651 [0,2,0,0,0,0|0,0,0]=2 2269 B15R2.2123 C=CCOCc1ccc2ccoc2c1 34a_200009859634_100015514636 [0,2,0,0,0,0|1,0,1]=4 2270 B15R2.2123 C=CCOCc1ccc2ccoc2c1 7a_200009859634_100015514636 [0,2,0,0,0,0|1,0,1]=4 2271 B15R2.2123 C=CCOCc1ccc2ncoc2c1 34a_200000210373_106359897996 [0,2,0,0,0,0|1,0,1]=4 2272 B15R2.2123 C=CCOCc1ccc2occc2c1 34a_100000067418_100015514636 [0,2,0,0,0,0|1,0,1]=4 2273 B15R2.2123 C=CCOCc1ccc2occc2c1 7a_100000067418_100015514636 [0,2,0,0,0,0|1,0,1]=4 2274 B15R2.2123 C=CCOCc1ccc2ocnc2c1 34a_200000210373_200010203175 [0,2,0,0,0,0|1,0,1]=4 2275 B15R2.2123 C=CCSCc1ccc2ncoc2c1 62a_100000210623_106359897996 [0,2,0,0,0,0|1,0,1]=4 2276 B15R2.2123 C=CCSCc1ccc2ncoc2c1 62a_106359897996_100000210623 [0,2,0,0,0,0|1,0,1]=4 2277 B15R2.2123 C=CCSCc1ccc2ocnc2c1 62a_100000210623_200010203175 [0,2,0,0,0,0|1,0,1]=4 2278 B15R2.2123 CC#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000748600 [0,2,0,0,0,0|0,0,2]=4 2279 B15R2.2123 CC#CCNc1ccc2c(c1)OCO2 34a_100000209953_100000748600 [0,2,0,0,0,0|0,0,2]=4 2280 B15R2.2123 CC#CCOc1ccc2c(c1)OCO2 34a_100000210298_100000748600 [0,2,0,0,0,0|0,0,2]=4 2281 B15R2.2123 CC=CCNc1ccc2c(c1)CCC2 2230a_100000211504_100000070051 [0,2,0,0,0,0|2,0,0]=4 2282 B15R2.2123 CC=CCNc1ccc2c(c1)CCC2 34a_100000211504_100000070051 [0,2,0,0,0,0|2,0,0]=4 2283 B15R2.2123 CC=CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000070051 [0,2,0,0,0,0|1,0,0]=3 2284 B15R2.2123 CC=CCNc1ccc2c(c1)CCO2 34a_100000736984_100000070051 [0,2,0,0,0,0|1,0,0]=3 2285 B15R2.2123 CC=CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000070051 [0,2,0,0,0,0|0,0,0]=2 2286 B15R2.2123 CC=CCNc1ccc2c(c1)OCO2 34a_100000209953_100000070051 [0,2,0,0,0,0|0,0,0]=2 2287 B15R2.2123 CC=CCNc1ccc2ccoc2c1 34a_100000102395_100000070051 [0,2,0,0,0,0|1,0,1]=4 2288 B15R2.2123 CC=CCNc1ccc2cnoc2c1 34a_100000084182_100000070051 [0,2,0,0,0,0|2,0,0]=4 2289 B15R2.2123 CC=CCNc1ccc2ncoc2c1 34a_100011248239_100000070051 [0,2,0,0,0,0|1,0,1]=4 2290 B15R2.2123 CC=CCNc1ccc2occc2c1 34a_106430523501_100000070051 [0,2,0,0,0,0|1,0,1]=4 2291 B15R2.2123 CC=CCNc1ccc2ocnc2c1 34a_100011219863_100000070051 [0,2,0,0,0,0|1,0,1]=4 2292 B15R2.2123 CC=CCNc1ccc2oncc2c1 34a_100000037595_100000070051 [0,2,0,0,0,0|2,0,0]=4 2293 B15R2.2123 CC=CCOc1ccc2c(c1)CCC2 34a_100000209987_100000070051 [0,2,0,0,0,0|2,0,0]=4 2294 B15R2.2123 CC=CCOc1ccc2c(c1)CCC2 7a_100000209987_100000070051 [0,2,0,0,0,0|2,0,0]=4 2295 B15R2.2123 CC=CCOc1ccc2c(c1)CCN2 34a_100020636429_100000070051 [0,2,0,0,0,0|2,0,0]=4 2296 B15R2.2123 CC=CCOc1ccc2c(c1)NCC2 34a_100020636427_100000070051 [0,2,0,0,0,0|2,0,0]=4 2297 B15R2.2123 CC=CCOc1ccc2c(c1)OCO2 34a_100000210298_100000070051 [0,2,0,0,0,0|0,0,0]=2 2298 B15R2.2123 CC=CCOc1ccc2ccoc2c1 34a_100000089557_100000070051 [0,2,0,0,0,0|1,0,1]=4 2299 B15R2.2123 CC=CCOc1ccc2ccoc2c1 7a_100000089557_100000070051 [0,2,0,0,0,0|1,0,1]=4 2300 B15R2.2123 CC=CCOc1ccc2cnoc2c1 34a_100000098417_100000070051 [0,2,0,0,0,0|2,0,0]=4 2301 B15R2.2123 CC=CCOc1ccc2cnoc2c1 7a_100000098417_100000070051 [0,2,0,0,0,0|2,0,0]=4 2302 B15R2.2123 CC=CCOc1ccc2occc2c1 34a_100000070125_100000070051 [0,2,0,0,0,0|1,0,1]=4 2303 B15R2.2123 CC=CCOc1ccc2occc2c1 7a_100000070125_100000070051 [0,2,0,0,0,0|1,0,1]=4 2304 B15R2.2123 CC=CCSc1cc2c(cn1)OCC2 62a_100000070051_102495363667 [0,2,0,0,0,0|2,0,0]=4 2305 B15R2.2123 CC=CCSc1cc2c(cn1)OCC2 62a_102495363667_100000070051 [0,2,0,0,0,0|2,0,0]=4 2306 B15R2.2123 CC=CCSc1ccc2c(c1)CCC2 62a_100000070051_100000745594 [0,2,0,0,0,0|2,0,0]=4 2307 B15R2.2123 CC=CCSc1ccc2c(c1)CCC2 62a_100000745594_100000070051 [0,2,0,0,0,0|2,0,0]=4 2308 B15R2.2123 CC=CCSc1ccc2c(c1)CCN2 62a_100000070051_100000691068 [0,2,0,0,0,0|2,0,0]=4 2309 B15R2.2123 CC=CCSc1ccc2c(c1)CCN2 62a_100000691068_100000070051 [0,2,0,0,0,0|2,0,0]=4 2310 B15R2.2123 CC=CCSc1ccc2c(c1)CCO2 62a_100000070051_100000729065 [0,2,0,0,0,0|1,0,0]=3 2311 B15R2.2123 CC=CCSc1ccc2c(c1)CCO2 62a_100000729065_100000070051 [0,2,0,0,0,0|1,0,0]=3 2312 B15R2.2123 CC=CCSc1ccc2c(c1)NCC2 62a_100000070051_100000754641 [0,2,0,0,0,0|2,0,0]=4 2313 B15R2.2123 CC=CCSc1ccc2c(c1)NCC2 62a_100000754641_100000070051 [0,2,0,0,0,0|2,0,0]=4 2314 B15R2.2123 CC=CCSc1ccc2c(c1)OCC2 62a_100000070051_100009818566 [0,2,0,0,0,0|1,0,0]=3 2315 B15R2.2123 CC=CCSc1ccc2c(c1)OCC2 62a_100009818566_100000070051 [0,2,0,0,0,0|1,0,0]=3 2316 B15R2.2123 CC=CCSc1ccc2ccoc2c1 62a_100000070051_100000759542 [0,2,0,0,0,0|1,0,1]=4 2317 B15R2.2123 CC=CCSc1ccc2cnoc2c1 62a_100000070051_100009817722 [0,2,0,0,0,0|2,0,0]=4 2318 B15R2.2123 CC=CCSc1ccc2ncoc2c1 62a_100000070051_100009817590 [0,2,0,0,0,0|1,0,1]=4 2319 B15R2.2123 CC=CCSc1ccc2occc2c1 62a_100000070051_100000691453 [0,2,0,0,0,0|1,0,1]=4 2320 B15R2.2123 CC=CCSc1ccc2ocnc2c1 62a_100000070051_100009816175 [0,2,0,0,0,0|1,0,1]=4 2321 B15R2.2123 CC=CCSc1ccc2oncc2c1 62a_100000070051_100009817723 [0,2,0,0,0,0|2,0,0]=4 2322 B15R2.2123 CCCC=Cc1ccc2c(c1)OCO2 271570a_100016258520_100000688060 [0,2,0,0,0,0|0,0,2]=4 2323 B15R2.2123 CCCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210211 [0,2,0,0,0,0|0,0,2]=4 2324 B15R2.2123 CCCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210210 [0,2,0,0,0,0|0,0,2]=4 2325 B15R2.2123 CCCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210210 [0,2,0,0,0,0|0,0,2]=4 2326 B15R2.2123 CCCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210303 [0,2,0,0,0,0|0,0,2]=4 2327 B15R2.2123 CCCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210303 [0,2,0,0,0,0|0,0,2]=4 2328 B15R2.2123 CCCOCc1ccc2c(c1)OCO2 34a_100000210258_100000189651 [0,2,0,0,0,0|0,0,2]=4 2329 B15R2.2123 CCCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210303 [0,2,0,0,0,0|0,0,2]=4 2330 B15R2.2123 CCNCCc1ccc2c(c1)OCO2 2230a_100000204656_100000210202 [0,2,0,0,0,0|0,0,2]=4 2331 B15R2.2123 CCNCCc1ccc2c(c1)OCO2 34a_100000204656_100000210202 [0,2,0,0,0,0|0,0,2]=4 2332 B15R2.2123 CCOC=Cc1ccc2c(c1)OCO2 271570a_100016256518_100000688060 [0,2,0,0,0,0|0,0,2]=4 2333 B15R2.2123 CCOCCc1ccc2c(c1)OCO2 34a_100011934097_100000210202 [0,2,0,0,0,0|0,0,2]=4 2334 B15R2.2123 COCC=Cc1ccc2c(c1)OCO2 271570a_100016286323_100000688060 [0,2,0,0,0,0|0,0,2]=4 2335 B15R2.2123 COCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011201679 [0,2,0,0,0,0|0,0,2]=4 2336 B15R2.2123 COCCNc1ccc2c(c1)OCO2 34a_100000209953_100011201679 [0,2,0,0,0,0|0,0,2]=4 2337 B15R2.2123 COCCNc1ccc2c(c1)OCO2 34a_200016989596_200000210301 [0,2,0,0,0,0|0,0,2]=4 2338 B15R2.2123 COCCOc1ccc2c(c1)OCO2 34a_100000210298_100011201679 [0,2,0,0,0,0|0,0,2]=4 2339 B15R2.2123 COCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000766300 [0,2,0,0,0,0|0,0,2]=4 2340 B15R2.2123 CSCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000751147 [0,2,0,0,0,0|0,0,2]=4 2341 B15R2.2123 CSCCNc1ccc2c(c1)OCO2 34a_100000209953_100000212216 [0,2,0,0,0,0|0,0,2]=4 2342 B15R2.2123 CSCCOc1ccc2c(c1)OCO2 34a_100000210298_100000212216 [0,2,0,0,0,0|0,0,2]=4 2343 B15R2.2123 CSCNCc1ccc2c(c1)OCO2 2230a_100000210006_100011218213 [0,2,0,0,0,0|0,0,2]=4 2344 B15R2.2123 CSCNCc1ccc2c(c1)OCO2 34a_100000210006_100011218213 [0,2,0,0,0,0|0,0,2]=4 2345 B15R2.2123 CSCOCc1ccc2c(c1)OCO2 34a_100000210967_100011218213 [0,2,0,0,0,0|0,0,2]=4 2346 B15R2.2123 FCCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011934791 [0,2,0,0,0,0|0,0,2]=4 2347 B15R2.2123 FCCCNc1ccc2c(c1)OCO2 34a_100000209953_100011934791 [0,2,0,0,0,0|0,0,2]=4 2348 B15R2.2123 FCCCOc1ccc2c(c1)OCO2 34a_100000210298_100011934791 [0,2,0,0,0,0|0,0,2]=4 2349 B15R2.2123 FCCNCc1ccc2c(c1)OCO2 2230a_100000210006_100011217306 [0,2,0,0,0,0|0,0,2]=4 2350 B15R2.2123 FCCNCc1ccc2c(c1)OCO2 34a_100000210006_100011217306 [0,2,0,0,0,0|0,0,2]=4 2351 B15R2.2123 FCCNCc1ccc2c(c1)OCO2 34a_100000724931_100000189651 [0,2,0,0,0,0|0,0,2]=4 2352 B15R2.2123 FCCOCc1ccc2c(c1)OCO2 34a_100000210967_100011217306 [0,2,0,0,0,0|0,0,2]=4 2353 B15R2.2123 FCNCCc1ccc2c(c1)OCO2 34a_100000204656_100015361967 [0,2,0,0,0,0|0,0,2]=4 2354 B15R2.2123 FCOCCc1ccc2c(c1)OCO2 34a_100011934097_100015361967 [0,2,0,0,0,0|0,0,2]=4 2355 B15R2.2123 N#CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011215226 [0,2,0,0,0,0|0,0,2]=4 2356 B15R2.2123 N#CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100011215382 [0,2,0,0,0,0|0,0,2]=4 2357 B15R2.2123 NCCOCc1ccc2c(c1)OCO2 34a_100000210304_100000189651 [0,2,0,0,0,0|0,0,2]=4 2358 B15R2.2123 O=CCNCc1ccc2c(c1)CCO2 2230a_100011219410_200015260668 [0,2,0,0,0,0|1,0,1]=4 2359 B15R2.2123 O=CCNCc1ccc2c(c1)CCO2 34a_100011219410_200009817547 [0,2,0,0,0,0|1,0,1]=4 2360 B15R2.2123 O=CCNCc1ccc2c(c1)OCO2 2230a_100000210006_200015260668 [0,2,0,0,0,0|0,0,1]=3 2361 B15R2.2123 O=CCNCc1ccc2c(c1)OCO2 34a_100000210006_200009817547 [0,2,0,0,0,0|0,0,1]=3 2362 B15R2.2123 O=CCOCc1ccc2c(c1)CCO2 34a_100011219353_200009817547 [0,2,0,0,0,0|1,0,1]=4 2363 B15R2.2123 O=CCOCc1ccc2c(c1)CCO2 7a_100011219353_200015260668 [0,2,0,0,0,0|1,0,1]=4 2364 B15R2.2123 O=CCOCc1ccc2c(c1)OCO2 34a_100000210967_200009817547 [0,2,0,0,0,0|0,0,1]=3 2365 B15R2.2123 OCCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000230001 [0,2,0,0,0,0|0,0,2]=4 2366 B15R2.2123 OCCCNc1ccc2c(c1)OCO2 34a_100000209953_100000230001 [0,2,0,0,0,0|0,0,2]=4 2367 B15R2.2123 OCCCOc1ccc2c(c1)OCO2 34a_100000210298_100000230001 [0,2,0,0,0,0|0,0,2]=4 2368 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000211926 [0,2,0,0,0,0|0,0,2]=4 2369 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 34a_100000210006_100000211926 [0,2,0,0,0,0|0,0,2]=4 2370 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 34a_100016990907_100000189651 [0,2,0,0,0,0|0,0,2]=4 2371 B15R2.2123 OCCOCc1ccc2c(c1)OCO2 34a_100000210967_100000211926 [0,2,0,0,0,0|0,0,2]=4 2372 B15R2.2123 [13CH3]OCCNc1ccc2c(c1)OCO2 34a_200016989596_200025704644 [0,2,0,0,0,0|0,0,2]=4 2373 B15R2.4343 C#CC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_200000035995 [0,2,0,0,0,0|0,0,2]=4 2374 B15R2.4343 C#CC(C)Oc1ccc2c(c1)OCO2 34a_100000210298_200000035995 [0,2,0,0,0,0|0,0,2]=4 2375 B15R2.4343 C=CC(=O)Cc1ccc2ncoc2c1 1458a_100000185746_106359897996 [0,2,0,0,0,0|1,0,1]=4 2376 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100000185746 [0,2,0,0,0,0|1,0,1]=4 2377 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000185746 [0,2,0,0,0,0|1,0,1]=4 2378 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000185746 [0,2,0,0,0,0|0,0,1]=3 2379 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000185746 [0,2,0,0,0,0|0,0,1]=3 2380 B15R2.4343 C=CC(C)Sc1cc2c(cn1)OCC2 62a_100011215867_102495363667 [0,2,0,0,0,0|2,0,0]=4 2381 B15R2.4343 C=CC(C)Sc1ccc2c(c1)CCC2 62a_100011215867_100000745594 [0,2,0,0,0,0|2,0,0]=4 2382 B15R2.4343 C=CC(C)Sc1ccc2c(c1)CCN2 62a_100011215867_100000691068 [0,2,0,0,0,0|2,0,0]=4 2383 B15R2.4343 C=CC(C)Sc1ccc2c(c1)CCO2 62a_100011215867_100000729065 [0,2,0,0,0,0|1,0,0]=3 2384 B15R2.4343 C=CC(C)Sc1ccc2c(c1)NCC2 62a_100011215867_100000754641 [0,2,0,0,0,0|2,0,0]=4 2385 B15R2.4343 C=CC(C)Sc1ccc2c(c1)OCC2 62a_100011215867_100009818566 [0,2,0,0,0,0|1,0,0]=3 2386 B15R2.4343 C=CC(C)Sc1ccc2ccoc2c1 62a_100011215867_100000759542 [0,2,0,0,0,0|1,0,1]=4 2387 B15R2.4343 C=CC(C)Sc1ccc2cnoc2c1 62a_100011215867_100009817722 [0,2,0,0,0,0|2,0,0]=4 2388 B15R2.4343 C=CC(C)Sc1ccc2ncoc2c1 62a_100011215867_100009817590 [0,2,0,0,0,0|1,0,1]=4 2389 B15R2.4343 C=CC(C)Sc1ccc2occc2c1 62a_100011215867_100000691453 [0,2,0,0,0,0|1,0,1]=4 2390 B15R2.4343 C=CC(C)Sc1ccc2ocnc2c1 62a_100011215867_100009816175 [0,2,0,0,0,0|1,0,1]=4 2391 B15R2.4343 C=CC(C)Sc1ccc2oncc2c1 62a_100011215867_100009817723 [0,2,0,0,0,0|2,0,0]=4 2392 B15R2.4343 CC(C#N)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000184139 [0,2,0,0,0,0|1,0,1]=4 2393 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 2230a_100000209953_100012180447 [0,2,0,0,0,0|1,0,1]=4 2394 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 34a_100000209953_100012180447 [0,2,0,0,0,0|1,0,1]=4 2395 B15R2.4343 CC(CO)Oc1ccc2c(c1)OCO2 34a_100000210298_100012180447 [0,2,0,0,0,0|1,0,1]=4 2396 B15R2.4343 CCC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_100000210202 [0,2,0,0,0,0|1,0,1]=4 2397 B15R2.4343 CCC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_100000210202 [0,2,0,0,0,0|0,0,1]=3 2398 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100000210414 [0,2,0,0,0,0|1,0,1]=4 2399 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000210414 [0,2,0,0,0,0|1,0,1]=4 2400 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210414 [0,2,0,0,0,0|1,0,1]=4 2401 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210414 [0,2,0,0,0,0|1,0,1]=4 2402 B15R2.4343 CCC(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000758301 [0,2,0,0,0,0|0,0,2]=4 2403 B15R2.4343 CCC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100011215416 [0,2,0,0,0,0|0,0,2]=4 2404 B15R2.4343 CCC(C)Oc1ccc2c(c1)OCO2 34a_100000210298_100011215416 [0,2,0,0,0,0|0,0,2]=4 2405 B15R2.4343 CCN(C)Cc1ccc2c(c1)OCO2 2230a_100000186720_100000210202 [0,2,0,0,0,0|0,0,2]=4 2406 B15R2.4343 CCN(C)Cc1ccc2c(c1)OCO2 269982a_100000186720_100000204670 [0,2,0,0,0,0|0,0,2]=4 2407 B15R2.4343 CCN(C)Cc1ccc2c(c1)OCO2 269982a_100000225621_100000189651 [0,2,0,0,0,0|0,0,2]=4 2408 B15R2.4343 CN(CF)Cc1ccc2c(c1)OCO2 269982a_100000186720_100015361967 [0,2,0,0,0,0|1,0,1]=4 2409 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 11a_106832991635_100000242752 [0,2,0,0,0,0|1,0,1]=4 2410 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 1626a_100102657272_100000242752 [0,2,0,0,0,0|1,0,1]=4 2411 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 240690a_100102657272_100000242752 [0,2,0,0,0,0|1,0,1]=4 2412 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 527a_100102657272_100000242752 [0,2,0,0,0,0|1,0,1]=4 2413 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 11a_106832991635_100000743733 [0,2,0,0,0,0|0,0,1]=3 2414 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 240690a_100102657272_100000743733 [0,2,0,0,0,0|0,0,1]=3 2415 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 527a_100102657272_100000743733 [0,2,0,0,0,0|0,0,1]=3 2416 B15R2.4343 CNC(=O)Nc1ccc2c(c1)OCO2 2430a_100000209953_100102657272 [0,2,0,0,0,0|1,0,1]=4 2417 B15R2.4343 O=C(CF)Cc1ccc2c(c1)CCO2 1458a_100000242752_100015361967 [0,2,0,0,0,0|1,0,1]=4 2418 B15R2.4343 O=C(CF)Cc1ccc2c(c1)OCO2 1458a_100000743733_100015361967 [0,2,0,0,0,0|0,0,1]=3 2419 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210174 [0,2,0,0,0,0|1,0,1]=4 2420 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210174 [0,2,0,0,0,0|1,0,1]=4 2421 B15R2.7688 C=C(C)CNc1ccc2c(c1)CCC2 2230a_100000211504_100000748629 [0,2,0,0,0,0|2,0,0]=4 2422 B15R2.7688 C=C(C)CNc1ccc2c(c1)CCC2 34a_100000211504_100000748629 [0,2,0,0,0,0|2,0,0]=4 2423 B15R2.7688 C=C(C)CNc1ccc2c(c1)CCO2 2230a_100000736984_100000748629 [0,2,0,0,0,0|1,0,0]=3 2424 B15R2.7688 C=C(C)CNc1ccc2c(c1)CCO2 34a_100000736984_100000748629 [0,2,0,0,0,0|1,0,0]=3 2425 B15R2.7688 C=C(C)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000748629 [0,2,0,0,0,0|0,0,0]=2 2426 B15R2.7688 C=C(C)CNc1ccc2c(c1)OCO2 34a_100000209953_100000748629 [0,2,0,0,0,0|0,0,0]=2 2427 B15R2.7688 C=C(C)CNc1ccc2ccoc2c1 34a_100000102395_100000748629 [0,2,0,0,0,0|1,0,1]=4 2428 B15R2.7688 C=C(C)CNc1ccc2cnoc2c1 34a_100000084182_100000748629 [0,2,0,0,0,0|2,0,0]=4 2429 B15R2.7688 C=C(C)CNc1ccc2ncoc2c1 34a_100011248239_100000748629 [0,2,0,0,0,0|1,0,1]=4 2430 B15R2.7688 C=C(C)CNc1ccc2occc2c1 34a_106430523501_100000748629 [0,2,0,0,0,0|1,0,1]=4 2431 B15R2.7688 C=C(C)CNc1ccc2ocnc2c1 34a_100011219863_100000748629 [0,2,0,0,0,0|1,0,1]=4 2432 B15R2.7688 C=C(C)CNc1ccc2oncc2c1 34a_100000037595_100000748629 [0,2,0,0,0,0|2,0,0]=4 2433 B15R2.7688 C=C(C)COc1ccc2c(c1)CCC2 34a_100000209987_100000748629 [0,2,0,0,0,0|2,0,0]=4 2434 B15R2.7688 C=C(C)COc1ccc2c(c1)CCC2 7a_100000209987_100000748629 [0,2,0,0,0,0|2,0,0]=4 2435 B15R2.7688 C=C(C)COc1ccc2c(c1)CCN2 34a_100020636429_100000748629 [0,2,0,0,0,0|2,0,0]=4 2436 B15R2.7688 C=C(C)COc1ccc2c(c1)NCC2 34a_100020636427_100000748629 [0,2,0,0,0,0|2,0,0]=4 2437 B15R2.7688 C=C(C)COc1ccc2c(c1)OCO2 34a_100000210298_100000748629 [0,2,0,0,0,0|0,0,0]=2 2438 B15R2.7688 C=C(C)COc1ccc2ccoc2c1 34a_100000089557_100000748629 [0,2,0,0,0,0|1,0,1]=4 2439 B15R2.7688 C=C(C)COc1ccc2ccoc2c1 7a_100000089557_100000748629 [0,2,0,0,0,0|1,0,1]=4 2440 B15R2.7688 C=C(C)COc1ccc2cnoc2c1 34a_100000098417_100000748629 [0,2,0,0,0,0|2,0,0]=4 2441 B15R2.7688 C=C(C)COc1ccc2cnoc2c1 7a_100000098417_100000748629 [0,2,0,0,0,0|2,0,0]=4 2442 B15R2.7688 C=C(C)COc1ccc2occc2c1 34a_100000070125_100000748629 [0,2,0,0,0,0|1,0,1]=4 2443 B15R2.7688 C=C(C)COc1ccc2occc2c1 7a_100000070125_100000748629 [0,2,0,0,0,0|1,0,1]=4 2444 B15R2.7688 C=C(C)CSc1cc2c(cn1)OCC2 62a_100000748629_102495363667 [0,2,0,0,0,0|2,0,0]=4 2445 B15R2.7688 C=C(C)CSc1cc2c(cn1)OCC2 62a_102495363667_100000211660 [0,2,0,0,0,0|2,0,0]=4 2446 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCC2 62a_100000745594_100000211660 [0,2,0,0,0,0|2,0,0]=4 2447 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCC2 62a_100000748629_100000745594 [0,2,0,0,0,0|2,0,0]=4 2448 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCN2 62a_100000691068_100000211660 [0,2,0,0,0,0|2,0,0]=4 2449 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCN2 62a_100000748629_100000691068 [0,2,0,0,0,0|2,0,0]=4 2450 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCO2 62a_100000729065_100000211660 [0,2,0,0,0,0|1,0,0]=3 2451 B15R2.7688 C=C(C)CSc1ccc2c(c1)CCO2 62a_100000748629_100000729065 [0,2,0,0,0,0|1,0,0]=3 2452 B15R2.7688 C=C(C)CSc1ccc2c(c1)NCC2 62a_100000748629_100000754641 [0,2,0,0,0,0|2,0,0]=4 2453 B15R2.7688 C=C(C)CSc1ccc2c(c1)NCC2 62a_100000754641_100000211660 [0,2,0,0,0,0|2,0,0]=4 2454 B15R2.7688 C=C(C)CSc1ccc2c(c1)OCC2 62a_100000748629_100009818566 [0,2,0,0,0,0|1,0,0]=3 2455 B15R2.7688 C=C(C)CSc1ccc2c(c1)OCC2 62a_100009818566_100000211660 [0,2,0,0,0,0|1,0,0]=3 2456 B15R2.7688 C=C(C)CSc1ccc2ccoc2c1 62a_100000748629_100000759542 [0,2,0,0,0,0|1,0,1]=4 2457 B15R2.7688 C=C(C)CSc1ccc2cnoc2c1 62a_100000748629_100009817722 [0,2,0,0,0,0|2,0,0]=4 2458 B15R2.7688 C=C(C)CSc1ccc2ncoc2c1 62a_100000748629_100009817590 [0,2,0,0,0,0|1,0,1]=4 2459 B15R2.7688 C=C(C)CSc1ccc2occc2c1 62a_100000748629_100000691453 [0,2,0,0,0,0|1,0,1]=4 2460 B15R2.7688 C=C(C)CSc1ccc2ocnc2c1 62a_100000748629_100009816175 [0,2,0,0,0,0|1,0,1]=4 2461 B15R2.7688 C=C(C)CSc1ccc2oncc2c1 62a_100000748629_100009817723 [0,2,0,0,0,0|2,0,0]=4 2462 B15R2.7688 C=C(F)CNc1ccc2c(c1)CCC2 2230a_100000211504_100009893438 [0,2,0,0,0,0|2,0,0]=4 2463 B15R2.7688 C=C(F)CNc1ccc2c(c1)CCC2 34a_100000211504_100009893438 [0,2,0,0,0,0|2,0,0]=4 2464 B15R2.7688 C=C(F)CNc1ccc2c(c1)CCO2 2230a_100000736984_100009893438 [0,2,0,0,0,0|1,0,0]=3 2465 B15R2.7688 C=C(F)CNc1ccc2c(c1)CCO2 34a_100000736984_100009893438 [0,2,0,0,0,0|1,0,0]=3 2466 B15R2.7688 C=C(F)CNc1ccc2c(c1)OCO2 2230a_100000209953_100009893438 [0,2,0,0,0,0|0,0,0]=2 2467 B15R2.7688 C=C(F)CNc1ccc2c(c1)OCO2 34a_100000209953_100009893438 [0,2,0,0,0,0|0,0,0]=2 2468 B15R2.7688 C=C(F)CNc1ccc2ccoc2c1 34a_100000102395_100009893438 [0,2,0,0,0,0|1,0,1]=4 2469 B15R2.7688 C=C(F)CNc1ccc2cnoc2c1 34a_100000084182_100009893438 [0,2,0,0,0,0|2,0,0]=4 2470 B15R2.7688 C=C(F)CNc1ccc2ncoc2c1 34a_100011248239_100009893438 [0,2,0,0,0,0|1,0,1]=4 2471 B15R2.7688 C=C(F)CNc1ccc2occc2c1 34a_106430523501_100009893438 [0,2,0,0,0,0|1,0,1]=4 2472 B15R2.7688 C=C(F)CNc1ccc2ocnc2c1 34a_100011219863_100009893438 [0,2,0,0,0,0|1,0,1]=4 2473 B15R2.7688 C=C(F)CNc1ccc2oncc2c1 34a_100000037595_100009893438 [0,2,0,0,0,0|2,0,0]=4 2474 B15R2.7688 C=C(F)COc1ccc2c(c1)CCC2 34a_100000209987_100009893438 [0,2,0,0,0,0|2,0,0]=4 2475 B15R2.7688 C=C(F)COc1ccc2c(c1)CCC2 7a_100000209987_100000042424 [0,2,0,0,0,0|2,0,0]=4 2476 B15R2.7688 C=C(F)COc1ccc2c(c1)CCN2 34a_100020636429_100009893438 [0,2,0,0,0,0|2,0,0]=4 2477 B15R2.7688 C=C(F)COc1ccc2c(c1)NCC2 34a_100020636427_100009893438 [0,2,0,0,0,0|2,0,0]=4 2478 B15R2.7688 C=C(F)COc1ccc2c(c1)OCO2 34a_100000210298_100009893438 [0,2,0,0,0,0|0,0,0]=2 2479 B15R2.7688 C=C(F)COc1ccc2ccoc2c1 34a_100000089557_100009893438 [0,2,0,0,0,0|1,0,1]=4 2480 B15R2.7688 C=C(F)COc1ccc2ccoc2c1 7a_100000089557_100000042424 [0,2,0,0,0,0|1,0,1]=4 2481 B15R2.7688 C=C(F)COc1ccc2cnoc2c1 34a_100000098417_100009893438 [0,2,0,0,0,0|2,0,0]=4 2482 B15R2.7688 C=C(F)COc1ccc2cnoc2c1 7a_100000098417_100000042424 [0,2,0,0,0,0|2,0,0]=4 2483 B15R2.7688 C=C(F)COc1ccc2occc2c1 34a_100000070125_100009893438 [0,2,0,0,0,0|1,0,1]=4 2484 B15R2.7688 C=C(F)COc1ccc2occc2c1 7a_100000070125_100000042424 [0,2,0,0,0,0|1,0,1]=4 2485 B15R2.7688 C=C(F)CSc1cc2c(cn1)OCC2 62a_100000042424_102495363667 [0,2,0,0,0,0|2,0,0]=4 2486 B15R2.7688 C=C(F)CSc1cc2c(cn1)OCC2 62a_102495363667_100000042424 [0,2,0,0,0,0|2,0,0]=4 2487 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCC2 62a_100000042424_100000745594 [0,2,0,0,0,0|2,0,0]=4 2488 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCC2 62a_100000745594_100000042424 [0,2,0,0,0,0|2,0,0]=4 2489 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCN2 62a_100000042424_100000691068 [0,2,0,0,0,0|2,0,0]=4 2490 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCN2 62a_100000691068_100000042424 [0,2,0,0,0,0|2,0,0]=4 2491 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCO2 62a_100000042424_100000729065 [0,2,0,0,0,0|1,0,0]=3 2492 B15R2.7688 C=C(F)CSc1ccc2c(c1)CCO2 62a_100000729065_100000042424 [0,2,0,0,0,0|1,0,0]=3 2493 B15R2.7688 C=C(F)CSc1ccc2c(c1)NCC2 62a_100000042424_100000754641 [0,2,0,0,0,0|2,0,0]=4 2494 B15R2.7688 C=C(F)CSc1ccc2c(c1)NCC2 62a_100000754641_100000042424 [0,2,0,0,0,0|2,0,0]=4 2495 B15R2.7688 C=C(F)CSc1ccc2c(c1)OCC2 62a_100000042424_100009818566 [0,2,0,0,0,0|1,0,0]=3 2496 B15R2.7688 C=C(F)CSc1ccc2c(c1)OCC2 62a_100009818566_100000042424 [0,2,0,0,0,0|1,0,0]=3 2497 B15R2.7688 C=C(F)CSc1ccc2ccoc2c1 62a_100000042424_100000759542 [0,2,0,0,0,0|1,0,1]=4 2498 B15R2.7688 C=C(F)CSc1ccc2cnoc2c1 62a_100000042424_100009817722 [0,2,0,0,0,0|2,0,0]=4 2499 B15R2.7688 C=C(F)CSc1ccc2ncoc2c1 62a_100000042424_100009817590 [0,2,0,0,0,0|1,0,1]=4 2500 B15R2.7688 C=C(F)CSc1ccc2occc2c1 62a_100000042424_100000691453 [0,2,0,0,0,0|1,0,1]=4 2501 B15R2.7688 C=C(F)CSc1ccc2ocnc2c1 62a_100000042424_100009816175 [0,2,0,0,0,0|1,0,1]=4 2502 B15R2.7688 C=C(F)CSc1ccc2oncc2c1 62a_100000042424_100009817723 [0,2,0,0,0,0|2,0,0]=4 2503 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200000210301 [0,2,0,0,0,0|1,0,1]=4 2504 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000210301 [0,2,0,0,0,0|0,0,1]=3 2505 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000070787_100000763274 [0,2,0,0,0,0|1,0,1]=4 2506 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200000210301 [0,2,0,0,0,0|1,0,1]=4 2507 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200000210301 [0,2,0,0,0,0|0,0,1]=3 2508 B15R2.7688 CC(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200000210301 [0,2,0,0,0,0|0,0,1]=3 2509 B15R2.7688 CC(=O)NCc1ccc2c(c1)CCO2 11a_100011219410_100015343762 [0,2,0,0,0,0|1,0,1]=4 2510 B15R2.7688 CC(=O)NCc1ccc2c(c1)CCO2 1626a_100011219410_100015343762 [0,2,0,0,0,0|1,0,1]=4 2511 B15R2.7688 CC(=O)NCc1ccc2c(c1)CCO2 240690a_100011219410_100015343762 [0,2,0,0,0,0|1,0,1]=4 2512 B15R2.7688 CC(=O)NCc1ccc2c(c1)CCO2 527a_100011219410_100103153847 [0,2,0,0,0,0|1,0,1]=4 2513 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 11a_100000210006_100015343762 [0,2,0,0,0,0|0,0,1]=3 2514 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 1626a_100000210006_100015343762 [0,2,0,0,0,0|0,0,1]=3 2515 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 240690a_100000210006_100015343762 [0,2,0,0,0,0|0,0,1]=3 2516 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 527a_100000210006_100103153847 [0,2,0,0,0,0|0,0,1]=3 2517 B15R2.7688 CC(C)C=Cc1ccc2c(c1)OCO2 271570a_100016257149_100000688060 [0,2,0,0,0,0|0,0,2]=4 2518 B15R2.7688 CC(C)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000210760 [0,2,0,0,0,0|0,0,2]=4 2519 B15R2.7688 CC(C)CNc1ccc2c(c1)OCO2 34a_100000209953_100000210624 [0,2,0,0,0,0|0,0,2]=4 2520 B15R2.7688 CC(C)COc1ccc2c(c1)OCO2 34a_100000210298_100000210624 [0,2,0,0,0,0|0,0,2]=4 2521 B15R2.7688 CC(C)NCc1ccc2c(c1)OCO2 2230a_100000210006_100000210206 [0,2,0,0,0,0|0,0,2]=4 2522 B15R2.7688 CC(C)NCc1ccc2c(c1)OCO2 34a_100000210006_100000210206 [0,2,0,0,0,0|0,0,2]=4 2523 B15R2.7688 CC(C)NCc1ccc2c(c1)OCO2 34a_100138425928_100000189651 [0,2,0,0,0,0|0,0,2]=4 2524 B15R2.7688 CC(C)OCc1ccc2c(c1)OCO2 34a_100000210967_100000210206 [0,2,0,0,0,0|0,0,2]=4 2525 B15R2.7688 CC(C)OCc1ccc2c(c1)OCO2 34a_100000212225_100000189651 [0,2,0,0,0,0|0,0,2]=4 2526 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 271570a_200011019289_100000688060 [0,2,0,0,0,0|0,0,2]=4 2527 B15R2.7688 CC(O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100011218427 [0,2,0,0,0,0|0,0,2]=4 2528 B15R2.7688 CC(O)CNc1ccc2c(c1)OCO2 34a_100000209953_100011218427 [0,2,0,0,0,0|0,0,2]=4 2529 B15R2.7688 CC(O)COc1ccc2c(c1)OCO2 34a_100000210298_100011218427 [0,2,0,0,0,0|0,0,2]=4 2530 B15R2.7688 C[C@@H](O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100009817552 [0,2,0,0,0,0|0,0,2]=4 2531 B15R2.7688 C[C@@H](O)CNc1ccc2c(c1)OCO2 34a_100000209953_100009817552 [0,2,0,0,0,0|0,0,2]=4 2532 B15R2.7688 C[C@@H](O)COc1ccc2c(c1)OCO2 34a_100000210298_100009817552 [0,2,0,0,0,0|0,0,2]=4 2533 B15R2.7688 FC(F)CNc1ccc2c(c1)OCO2 2230a_100000209953_100011934356 [0,2,0,0,0,0|1,0,1]=4 2534 B15R2.7688 FC(F)CNc1ccc2c(c1)OCO2 34a_100000209953_100011934356 [0,2,0,0,0,0|1,0,1]=4 2535 B15R2.7688 FC(F)COc1ccc2c(c1)OCO2 34a_100000210298_100011934356 [0,2,0,0,0,0|1,0,1]=4 2536 B15R2.7688 NC(=O)CNc1ccc2c(c1)CCO2 2230a_100000736984_100000747473 [0,2,0,0,0,0|2,0,0]=4 2537 B15R2.7688 NC(=O)CNc1ccc2c(c1)CCO2 34a_100000736984_100000187820 [0,2,0,0,0,0|2,0,0]=4 2538 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747473 [0,2,0,0,0,0|1,0,0]=3 2539 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000187820 [0,2,0,0,0,0|1,0,0]=3 2540 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000187820 [0,2,0,0,0,0|1,0,0]=3 2541 B15R2.7688 NC(=O)CSc1ccc2c(c1)CCO2 62a_100000729065_100000747473 [0,2,0,0,0,0|2,0,0]=4 2542 B15R2.7688 NC(=O)CSc1ccc2c(c1)CCO2 62a_100000747473_100000729065 [0,2,0,0,0,0|2,0,0]=4 2543 B15R2.7688 NC(=O)CSc1ccc2c(c1)OCC2 62a_100000747473_100009818566 [0,2,0,0,0,0|2,0,0]=4 2544 B15R2.7688 NC(=O)CSc1ccc2c(c1)OCC2 62a_100009818566_100000747473 [0,2,0,0,0,0|2,0,0]=4 2545 B15R2.7688 O=C([O-])CNc1ccc2c(c1)CCO2 34a_100000736984_100020667443 [0,2,0,0,0,0|2,0,0]=4 2546 B15R2.7688 O=C([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100020667443 [0,2,0,0,0,0|1,0,0]=3 2547 B15R2.7688 O=C([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100020667443 [0,2,0,0,0,0|1,0,0]=3 2548 B15R2.7688 O=C([O-])CSc1ccc2c(c1)CCO2 62a_100000729065_100020667443 [0,2,0,0,0,0|2,0,0]=4 2549 B15R2.7688 O=C([O-])CSc1ccc2c(c1)CCO2 62a_100020667443_100000729065 [0,2,0,0,0,0|2,0,0]=4 2550 B15R2.7688 O=C([O-])CSc1ccc2c(c1)OCC2 62a_100009818566_100020667443 [0,2,0,0,0,0|2,0,0]=4 2551 B15R2.7688 O=C([O-])CSc1ccc2c(c1)OCC2 62a_100020667443_100009818566 [0,2,0,0,0,0|2,0,0]=4 2552 B15R2.7688 O=[N+]([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100000761209 [0,2,0,0,0,0|2,0,0]=4 2553 B15R2.7688 O=[N+]([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100000761209 [0,2,0,0,0,0|2,0,0]=4 2554 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200025704644 [0,2,0,0,0,0|1,0,1]=4 2555 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200025704644 [0,2,0,0,0,0|0,0,1]=3 2556 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200025704644 [0,2,0,0,0,0|1,0,1]=4 2557 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200025704644 [0,2,0,0,0,0|0,0,1]=3 2558 B15R2.7688 [13CH3]C(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200025704644 [0,2,0,0,0,0|0,0,1]=3 2559 B15R2.17700 C=CCNc1ccc2c(c1)CC(O2)C 2230a_100102713350_100000210623 [0,2,0,0,0,0|1,0,0]=3 2560 B15R2.17700 C=CCNc1ccc2c(c1)CC(O2)C 34a_100102713350_100015514636 [0,2,0,0,0,0|1,0,0]=3 2561 B15R2.17700 C=CCNc1ccc2nc(oc2c1)C 34a_100000736495_100015514636 [0,2,0,0,0,0|1,0,1]=4 2562 B15R2.17700 C=CCNc1ccc2oc(nc2c1)C 34a_100000195416_100015514636 [0,2,0,0,0,0|1,0,1]=4 2563 B15R2.17700 C=CCOc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100015514636 [0,2,0,0,0,0|1,0,1]=4 2564 B15R2.17700 C=CCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100015514636 [0,2,0,0,0,0|1,0,1]=4 2565 B15R2.17700 C=CCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100015514636 [0,2,0,0,0,0|1,0,1]=4 2566 B15R2.17700 C=CCOc1ccc2cc(oc2c1)C 34a_100000095638_100015514636 [0,2,0,0,0,0|1,0,1]=4 2567 B15R2.17700 C=CCOc1ccc2cc(oc2c1)C 7a_100000095638_100015514636 [0,2,0,0,0,0|1,0,1]=4 2568 B15R2.17700 C=CCOc1ccc2nc(oc2c1)C 34a_100000116946_100015514636 [0,2,0,0,0,0|1,0,1]=4 2569 B15R2.17700 C=CCOc1ccc2nc(oc2c1)C 7a_100000116946_100015514636 [0,2,0,0,0,0|1,0,1]=4 2570 B15R2.17700 C=CCOc1ccc2oc(nc2c1)C 34a_100000102623_100015514636 [0,2,0,0,0,0|1,0,1]=4 2571 B15R2.17700 C=CCOc1ccc2oc(nc2c1)C 7a_100000102623_100015514636 [0,2,0,0,0,0|1,0,1]=4 2572 B15R2.17700 C=CCOc1ccc2oc(nc2c1)Cl 34a_100010673232_100015514636 [0,2,0,0,0,0|1,0,1]=4 2573 B15R2.17700 C=CCOc1ccc2oc(nc2c1)Cl 7a_100010673232_100015514636 [0,2,0,0,0,0|1,0,1]=4 2574 B15R2.17700 C=CCSc1ccc2[nH]c(=O)oc2c1 62a_100000210623_100000697996 [0,2,0,0,0,0|1,0,1]=4 2575 B15R2.17700 C=CCSc1ccc2c(c1)CC(C2)N 62a_100000210623_100015193702 [0,2,0,0,0,0|2,0,0]=4 2576 B15R2.17700 C=CCSc1ccc2c(c1)CC(C2)N 62a_100015193702_100000210623 [0,2,0,0,0,0|2,0,0]=4 2577 B15R2.17700 C=CCSc1ccc2c(c1)CC(C2)O 62a_100000210623_100010161096 [0,2,0,0,0,0|2,0,0]=4 2578 B15R2.17700 C=CCSc1ccc2c(c1)CC(C2)O 62a_100010161096_100000210623 [0,2,0,0,0,0|2,0,0]=4 2579 B15R2.17700 C=CCSc1ccc2nc(oc2c1)C 62a_100000210623_100010171164 [0,2,0,0,0,0|1,0,1]=4 2580 B15R2.17700 C=CCSc1ccc2oc(nc2c1)C 62a_100000210623_100009816932 [0,2,0,0,0,0|1,0,1]=4 2581 B15R2.17700 CC1Cc2cc(ccc2O1)NCC=O 2230a_100102713350_200015260668 [0,2,0,0,0,0|2,0,0]=4 2582 B15R2.17700 CC1Cc2cc(ccc2O1)NCC=O 34a_100102713350_200009817547 [0,2,0,0,0,0|2,0,0]=4 2583 B15R2.17712 C=CCNc1ccc2c(c1)CCN2C 34a_100000749598_100015514636 [0,2,0,0,0,0|2,0,0]=4 2584 B15R2.17712 C=CCOc1ccc2c(c1)CCC2=O 34a_100000708912_100015514636 [0,2,0,0,0,0|2,0,0]=4 2585 B15R2.17712 C=CCOc1ccc2c(c1)CCC2=O 7a_100000708912_100015514636 [0,2,0,0,0,0|2,0,0]=4 2586 B15R2.17712 C=CCOc1ccc2c(noc2c1)C 34a_200000076027_100015514636 [0,2,0,0,0,0|2,0,0]=4 2587 B15R2.17712 C=CCSc1ccc2c(c1)CCC2=O 62a_100000210623_100000737041 [0,2,0,0,0,0|2,0,0]=4 2588 B15R2.17712 C=CCSc1ccc2c(c1)CCC2=O 62a_100000737041_100000210623 [0,2,0,0,0,0|2,0,0]=4 2589 B15R2.17712 C=CCSc1ccc2c(c1)CCC2N 62a_100000210623_100000744021 [0,2,0,0,0,0|2,0,0]=4 2590 B15R2.17712 C=CCSc1ccc2c(c1)CCC2N 62a_100000744021_100000210623 [0,2,0,0,0,0|2,0,0]=4 2591 B15R2.17712 C=CCSc1ccc2c(c1)CCC2O 62a_100000210623_100000747877 [0,2,0,0,0,0|2,0,0]=4 2592 B15R2.17712 C=CCSc1ccc2c(c1)CCC2O 62a_100000747877_100000210623 [0,2,0,0,0,0|2,0,0]=4 2593 B15R2.17712 C=CCSc1ccc2c(c1)CCN2C 62a_100000210623_100009815432 [0,2,0,0,0,0|2,0,0]=4 2594 B15R2.17712 C=CCSc1ccc2c(c1)CCN2C 62a_100009815432_100000210623 [0,2,0,0,0,0|2,0,0]=4 2595 B15R2.17712 C=CCSc1ccc2c(c1)OCC2=O 62a_100000210623_100000686717 [0,2,0,0,0,0|1,0,0]=3 2596 B15R2.17712 C=CCSc1ccc2c(c1)OCC2N 62a_100000210623_100020628175 [0,2,0,0,0,0|1,0,0]=3 2597 B15R2.17712 C=CCSc1ccc2c(c1)OCC2N 62a_100020628175_100000210623 [0,2,0,0,0,0|1,0,0]=3 2598 B15R2.17712 C=CCSc1ccc2c(coc2c1)C 62a_100000210623_100010775837 [0,2,0,0,0,0|1,0,1]=4 2599 B15R2.17712 C=CCSc1ccc2c(noc2c1)C 62a_100000210623_100009815287 [0,2,0,0,0,0|2,0,0]=4 2600 B15R2.17712 C=CCSc1ccc2c(noc2c1)C 62a_100009815287_100000210623 [0,2,0,0,0,0|2,0,0]=4 2601 B15R2.17712 C=CCSc1ccc2c(noc2c1)N 62a_100000210623_100012356334 [0,2,0,0,0,0|2,0,0]=4 2602 B15R2.17712 C=CCSc1ccc2c(noc2c1)N 62a_100012356334_100000210623 [0,2,0,0,0,0|2,0,0]=4 2603 B15R2.17712 NC1COc2c1ccc(c2)SCC=O 62a_100020628175_200015260668 [0,2,0,0,0,0|2,0,0]=4 2604 B15R2.17712 NC1COc2c1ccc(c2)SCC=O 62a_200015260668_100020628175 [0,2,0,0,0,0|2,0,0]=4 2605 B15R2.17712 O=CCSc1ccc2c(c1)OCC2=O 62a_200015260668_100000686717 [0,2,0,0,0,0|2,0,0]=4 2606 B15R2.16674 C=C=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100015277604_100010187540 [0,2,0,0,0,0|0,0,2]=4 2607 B15R2.16674 C=C=Cc1ccc2c(c1)OC(O2)(F)F 271570a_100015277604_100009813929 [0,2,0,0,0,0|0,0,2]=4 2608 B15R2.16674 CC=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100016259895_100010187540 [0,2,0,0,0,0|0,0,2]=4 2609 B15R2.16674 CC=Cc1ccc2c(c1)OC(O2)(F)F 271570a_100016259895_100009813929 [0,2,0,0,0,0|0,0,2]=4 2610 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 207a_100102657272_100000043063 [0,2,0,0,0,0|1,0,1]=4 2611 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 2230a_100000083154_200000210301 [0,2,0,0,0,0|1,0,1]=4 2612 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 2230a_106832991635_100000729791 [0,2,0,0,0,0|1,0,1]=4 2613 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 270004a_106832991635_100000043063 [0,2,0,0,0,0|1,0,1]=4 2614 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 34a_100000083154_200000210301 [0,2,0,0,0,0|1,0,1]=4 2615 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 34a_100102657272_100000729791 [0,2,0,0,0,0|1,0,1]=4 2616 B15R2.16674 CNCc1ccc2c(c1)OC(O2)(F)F 7a_106832991635_100000729791 [0,2,0,0,0,0|1,0,1]=4 2617 B15R2.16674 COCc1ccc2c(c1)OC(O2)(F)F 34a_100000067676_200000210301 [0,2,0,0,0,0|1,0,1]=4 2618 B15R2.16674 COCc1ccc2c(c1)OC(O2)(F)F 34a_100138415774_100000729791 [0,2,0,0,0,0|1,0,1]=4 2619 B15R2.16674 COCc1ccc2c(c1)OC(O2)(F)F 7a_100000067676_200000210301 [0,2,0,0,0,0|1,0,1]=4 2620 B15R2.16674 CSCc1ccc2c(c1)OC(O2)(F)F 62a_200000210301_100000729791 [0,2,0,0,0,0|1,0,1]=4 2621 B15R2.16674 [13CH3]NCc1ccc2c(c1)OC(O2)(F)F 2230a_100000083154_200025704644 [0,2,0,0,0,0|1,0,1]=4 2622 B15R2.16674 [13CH3]NCc1ccc2c(c1)OC(O2)(F)F 34a_100000083154_200025704644 [0,2,0,0,0,0|1,0,1]=4 2623 B15R2.16674 [13CH3]OCc1ccc2c(c1)OC(O2)(F)F 34a_100000067676_200025704644 [0,2,0,0,0,0|1,0,1]=4 2624 B15R2.16674 [13CH3]OCc1ccc2c(c1)OC(O2)(F)F 7a_100000067676_200025704644 [0,2,0,0,0,0|1,0,1]=4 2625 B15R2.16674 [13CH3]SCc1ccc2c(c1)OC(O2)(F)F 62a_200025704644_100000729791 [0,2,0,0,0,0|1,0,1]=4 2626 B13R2.448 C=CCc1cccc(c1)C2CC2 271570a_100011220607_100009816576 [0,0,1,1,0,0|2,0,0]=4 2627 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,0,1,1,0,0|0,0,2]=4 2628 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [0,0,1,1,0,0|0,0,2]=4 2629 B15R3.31603 c1cc2c(cc1C3CC3)OCCO2 271570a_100011220607_100000184379 [0,0,0,1,0,1|0,0,2]=4 2630 B15R3.604 Nc1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100012557033 [0,1,0,1,0,0|0,0,2]=4 2631 B15R3.604 Oc1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100010290809 [0,1,0,1,0,0|0,0,2]=4 2632 B15R3.11377 Cc1c(ccc2c1OCO2)C3CC3 271570a_100011220607_100010335860 [0,1,0,1,0,0|0,0,2]=4 2633 B15R3.11377 Fc1c(ccc2c1OCO2)C3CC3 271570a_100011220607_100010223184 [0,1,0,1,0,0|0,0,2]=4 2634 B15R3.4379 c1cc2c(cc1NC3CC3)OCO2 34a_100000209953_100000211595 [0,1,0,1,0,0|0,0,2]=4 2635 B15R3.4379 c1cc2c(cc1OC3CC3)OCO2 34a_100000210298_100000211595 [0,1,0,1,0,0|0,0,2]=4 2636 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,0,1,0|1,0,0]=3 2637 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [1,0,0,0,0,1|2,0,0]=4 2638 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [1,0,0,0,0,1|2,0,0]=4 2639 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [1,0,0,0,0,1|1,0,0]=3 2640 B13R2.57 C=Cc1ccc2c(c1)CCNC2 271570a_100011290941_100000686056 [1,0,0,0,0,1|2,0,0]=4 2641 B13R2.57 C=Cc1ccc2c(c1)CNCC2 271570a_100011290941_100015189961 [1,0,0,0,0,1|2,0,0]=4 2642 B13R2.57 C=Cc1ccc2c(c1)COCC2 271570a_100011290941_100010128096 [1,0,0,0,0,1|1,0,0]=3 2643 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [1,0,0,0,0,1|2,0,0]=4 2644 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [1,0,0,0,0,1|1,0,0]=3 2645 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [1,0,0,0,0,1|1,1,0]=4 2646 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [1,0,0,0,0,1|1,0,0]=3 2647 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [1,0,0,0,0,1|1,0,0]=3 2648 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [1,0,0,0,0,1|0,0,0]=2 2649 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [1,0,0,0,0,1|2,0,0]=4 2650 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [1,0,0,0,0,1|2,0,0]=4 2651 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [1,0,0,0,0,1|2,0,0]=4 2652 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [1,0,0,0,0,1|2,0,0]=4 2653 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [1,0,0,0,0,1|1,0,1]=4 2654 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [1,0,0,0,0,1|1,0,1]=4 2655 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [1,0,0,0,0,1|1,0,1]=4 2656 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [1,0,0,0,0,1|1,0,1]=4 2657 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [1,0,0,0,0,1|1,0,1]=4 2658 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [1,0,0,0,0,1|1,0,1]=4 2659 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [1,0,0,0,0,1|1,0,1]=4 2660 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [1,0,0,0,0,1|1,0,1]=4 2661 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [1,0,0,0,0,1|1,0,1]=4 2662 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [1,0,0,0,0,1|1,0,1]=4 2663 B15R2.10338 C=C=Cc1ccc2c(c1)OCCCO2 271570a_100015277604_100000739260 [0,0,0,0,0,2|0,0,2]=4 2664 B15R2.10338 CC=Cc1ccc2c(c1)OCCCO2 271570a_100016259895_100000739260 [0,0,0,0,0,2|0,0,2]=4 2665 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 207a_100102657272_100000742767 [0,0,0,0,0,2|1,0,1]=4 2666 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_100000750700_200000210301 [0,0,0,0,0,2|1,0,1]=4 2667 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_106832991635_100000742768 [0,0,0,0,0,2|1,0,1]=4 2668 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 270004a_106832991635_100000742767 [0,0,0,0,0,2|1,0,1]=4 2669 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100000750700_200000210301 [0,0,0,0,0,2|1,0,1]=4 2670 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100102657272_100000742768 [0,0,0,0,0,2|1,0,1]=4 2671 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 7a_106832991635_100000742768 [0,0,0,0,0,2|1,0,1]=4 2672 B15R2.10338 COCc1ccc2c(c1)OCCCO2 34a_100138415774_100000742768 [0,0,0,0,0,2|1,0,1]=4 2673 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_100000742768_200000210301 [0,0,0,0,0,2|1,0,1]=4 2674 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_200000210301_100000742768 [0,0,0,0,0,2|1,0,1]=4 2675 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 2230a_100000750700_200025704644 [0,0,0,0,0,2|1,0,1]=4 2676 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 34a_100000750700_200025704644 [0,0,0,0,0,2|1,0,1]=4 2677 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_100000742768_200025704644 [0,0,0,0,0,2|1,0,1]=4 2678 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_200025704644_100000742768 [0,0,0,0,0,2|1,0,1]=4