0 B19R2.2474 C#CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000688953 [0,0,0,0,0,0|2,0,1]=3 1 B19R2.2474 C#CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000688953 [0,0,0,0,0,0|2,0,1]=3 2 B19R2.2474 C#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000688953 [0,0,0,0,0,0|3,0,1]=4 3 B19R2.2474 C#CCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000688953 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.2474 C#CCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000688953 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.2474 C#CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000688953 [0,0,0,0,0,0|1,0,1]=2 6 B19R2.2474 C#CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000688953 [0,0,0,0,0,0|1,0,1]=2 7 B19R2.2474 C#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000688953 [0,0,0,0,0,0|2,0,1]=3 8 B19R2.2474 C#CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000688953 [0,0,0,0,0,0|1,1,1]=3 9 B19R2.2474 C#CCCSC(c1ccccc1)c2ccccc2 62a_100000688953_100011216954 [0,0,0,0,0,0|1,1,1]=3 10 B19R2.2474 C#CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000038162 [0,0,0,0,0,0|3,0,1]=4 11 B19R2.2474 C#CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000184674 [0,0,0,0,0,0|3,0,1]=4 12 B19R2.2474 C#CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000184674 [0,0,0,0,0,0|3,0,1]=4 13 B19R2.2474 C#CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000038162 [0,0,0,0,0,0|3,0,1]=4 14 B19R2.2474 C/C=C/CNC(c1ccccc1)c2ccccc2 34a_100000162943_100102629194 [0,0,0,0,0,0|2,0,1]=3 15 B19R2.2474 C/C=C/COC(c1ccccc1)c2ccccc2 34a_100000211180_100102629194 [0,0,0,0,0,0|1,0,1]=2 16 B19R2.2474 C/C=C/COC(c1ccccc1)c2ccccc2 7a_100000211180_100102629194 [0,0,0,0,0,0|1,0,1]=2 17 B19R2.2474 C/C=C/COC(c1ccccc1)c2ccccn2 7a_100000180852_100102629194 [0,0,0,0,0,0|2,0,1]=3 18 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000754431 [0,0,0,0,0,0|2,0,1]=3 19 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccc2 2230a_100015191253_100000211591 [0,0,0,0,0,0|2,0,1]=3 20 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccc2 270004a_100015191253_100000210122 [0,0,0,0,0,0|2,0,1]=3 21 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000754431 [0,0,0,0,0,0|2,0,1]=3 22 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000754431 [0,0,0,0,0,0|3,0,1]=4 23 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 270004a_100015191253_100000210380 [0,0,0,0,0,0|3,0,1]=4 24 B19R2.2474 C=CCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000754431 [0,0,0,0,0,0|3,0,1]=4 25 B19R2.2474 C=CCCNC(c1ccccc1)c2cccnc2 270004a_100015191253_100000735413 [0,0,0,0,0,0|3,0,1]=4 26 B19R2.2474 C=CCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000754431 [0,0,0,0,0,0|3,0,1]=4 27 B19R2.2474 C=CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000754431 [0,0,0,0,0,0|1,0,1]=2 28 B19R2.2474 C=CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000754431 [0,0,0,0,0,0|1,0,1]=2 29 B19R2.2474 C=CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000754431 [0,0,0,0,0,0|2,0,1]=3 30 B19R2.2474 C=CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210623 [0,0,0,0,0,0|3,0,1]=4 31 B19R2.2474 C=CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100015514636 [0,0,0,0,0,0|3,0,1]=4 32 B19R2.2474 C=CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100015514636 [0,0,0,0,0,0|3,0,1]=4 33 B19R2.2474 C=CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100015514636 [0,0,0,0,0,0|3,0,1]=4 34 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748600 [0,0,0,0,0,0|2,0,1]=3 35 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccc2 2230a_100000685387_100000211591 [0,0,0,0,0,0|2,0,1]=3 36 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748600 [0,0,0,0,0,0|2,0,1]=3 37 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748600 [0,0,0,0,0,0|3,0,1]=4 38 B19R2.2474 CC#CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000748600 [0,0,0,0,0,0|3,0,1]=4 39 B19R2.2474 CC#CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000748600 [0,0,0,0,0,0|3,0,1]=4 40 B19R2.2474 CC#CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000748600 [0,0,0,0,0,0|1,0,1]=2 41 B19R2.2474 CC#CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000748600 [0,0,0,0,0,0|1,0,1]=2 42 B19R2.2474 CC#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000748600 [0,0,0,0,0,0|2,0,1]=3 43 B19R2.2474 CC#CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000748600 [0,0,0,0,0,0|1,1,1]=3 44 B19R2.2474 CC#CCSC(c1ccccc1)c2ccccc2 62a_100000748600_100011216954 [0,0,0,0,0,0|1,1,1]=3 45 B19R2.2474 CC=CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000070051 [0,0,0,0,0,0|2,0,1]=3 46 B19R2.2474 CC=CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000070051 [0,0,0,0,0,0|2,0,1]=3 47 B19R2.2474 CC=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000070051 [0,0,0,0,0,0|3,0,1]=4 48 B19R2.2474 CC=CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000070051 [0,0,0,0,0,0|3,0,1]=4 49 B19R2.2474 CC=CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000070051 [0,0,0,0,0,0|3,0,1]=4 50 B19R2.2474 CC=CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000070051 [0,0,0,0,0,0|1,0,1]=2 51 B19R2.2474 CC=CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000070051 [0,0,0,0,0,0|1,0,1]=2 52 B19R2.2474 CC=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000070051 [0,0,0,0,0,0|2,0,1]=3 53 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000102301_100000211591 [0,0,0,0,0,0|2,0,0]=2 54 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210211 [0,0,0,0,0,0|2,0,0]=2 55 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 270004a_100000102301_100000210122 [0,0,0,0,0,0|2,0,0]=2 56 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210210 [0,0,0,0,0,0|2,0,0]=2 57 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 7a_106832991798_100011216954 [0,0,0,0,0,0|2,0,0]=2 58 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210211 [0,0,0,0,0,0|3,0,0]=3 59 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 270004a_100000102301_100000210380 [0,0,0,0,0,0|3,0,0]=3 60 B19R2.2474 CCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210211 [0,0,0,0,0,0|3,0,0]=3 61 B19R2.2474 CCCCNC(c1ccccc1)c2cccnc2 270004a_100000102301_100000735413 [0,0,0,0,0,0|3,0,0]=3 62 B19R2.2474 CCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210211 [0,0,0,0,0,0|3,0,0]=3 63 B19R2.2474 CCCCNC(c1cccnc1)c2ccccn2 270004a_100000102301_100011376182 [0,0,0,0,0,0|4,0,0]=4 64 B19R2.2474 CCCCNC(c1cccnc1)c2cccnc2 270004a_100000102301_200011376183 [0,0,0,0,0,0|4,0,0]=4 65 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210210 [0,0,0,0,0,0|1,0,0]=1 66 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000210227_100011216954 [0,0,0,0,0,0|1,0,0]=1 67 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210211 [0,0,0,0,0,0|1,0,0]=1 68 B19R2.2474 CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210211 [0,0,0,0,0,0|2,0,0]=2 69 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210303 [0,0,0,0,0,0|3,0,0]=3 70 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210303 [0,0,0,0,0,0|3,0,0]=3 71 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210303 [0,0,0,0,0,0|3,0,0]=3 72 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210303 [0,0,0,0,0,0|3,0,0]=3 73 B19R2.2474 CCNCC=C(c1ccccc1)c2ccccc2 270004a_100015525214_100000050448 [0,0,0,0,0,0|3,0,1]=4 74 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210202 [0,0,0,0,0,0|3,0,0]=3 75 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100015525214_100009813428 [0,0,0,0,0,0|3,0,0]=3 76 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210202 [0,0,0,0,0,0|3,0,0]=3 77 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210202 [0,0,0,0,0,0|4,0,0]=4 78 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210202 [0,0,0,0,0,0|4,0,0]=4 79 B19R2.2474 CCNCC[S+](c1ccccc1)c2ccccc2 2230a_100015525214_100010140906 [0,0,0,0,0,0|4,0,0]=4 80 B19R2.2474 CCNN=CC(c1ccccc1)c2ccccc2 4a_100000756455_100000183636 [0,0,0,0,0,0|4,0,0]=4 81 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210202 [0,0,0,0,0,0|3,0,0]=3 82 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100121572206_100009813428 [0,0,0,0,0,0|3,0,0]=3 83 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210202 [0,0,0,0,0,0|3,0,0]=3 84 B19R2.2474 CCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210202 [0,0,0,0,0,0|4,0,0]=4 85 B19R2.2474 CCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210202 [0,0,0,0,0,0|4,0,0]=4 86 B19R2.2474 CCOCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000739092 [0,0,0,0,0,0|2,1,0]=3 87 B19R2.2474 CCOCSC(c1ccccc1)c2ccccc2 62a_100000739092_100011216954 [0,0,0,0,0,0|2,1,0]=3 88 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100000210202_100009813428 [0,0,0,0,0,0|3,0,0]=3 89 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210202 [0,0,0,0,0,0|3,0,0]=3 90 B19R2.2474 CCSCC[S+](c1ccccc1)c2ccccc2 62a_100000210202_100010140906 [0,0,0,0,0,0|4,0,0]=4 91 B19R2.2474 CCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000210202 [0,0,0,0,0,0|4,0,0]=4 92 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200000210301 [0,0,0,0,0,0|2,0,0]=2 93 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200000210301 [0,0,0,0,0,0|2,0,0]=2 94 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 2230a_106832991635_100000734929 [0,0,0,0,0,0|0,0,0]=0 95 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 34a_100102657272_100000734929 [0,0,0,0,0,0|0,0,0]=0 96 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 7a_106832991635_100000734929 [0,0,0,0,0,0|0,0,0]=0 97 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011201679 [0,0,0,0,0,0|2,0,0]=2 98 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000209980_100000211591 [0,0,0,0,0,0|2,0,0]=2 99 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 270004a_100000209980_100000210122 [0,0,0,0,0,0|2,0,0]=2 100 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011201679 [0,0,0,0,0,0|2,0,0]=2 101 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011201679 [0,0,0,0,0,0|3,0,0]=3 102 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 270004a_100000209980_100000210380 [0,0,0,0,0,0|3,0,0]=3 103 B19R2.2474 COCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011201679 [0,0,0,0,0,0|3,0,0]=3 104 B19R2.2474 COCCNC(c1ccccc1)c2cccnc2 270004a_100000209980_100000735413 [0,0,0,0,0,0|3,0,0]=3 105 B19R2.2474 COCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011201679 [0,0,0,0,0,0|3,0,0]=3 106 B19R2.2474 COCCNC(c1cccnc1)c2ccccn2 270004a_100000209980_100011376182 [0,0,0,0,0,0|4,0,0]=4 107 B19R2.2474 COCCNC(c1cccnc1)c2cccnc2 270004a_100000209980_200011376183 [0,0,0,0,0,0|4,0,0]=4 108 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011201679 [0,0,0,0,0,0|1,0,0]=1 109 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100138415774_100000734929 [0,0,0,0,0,0|1,0,0]=1 110 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000233755 [0,0,0,0,0,0|1,0,0]=1 111 B19R2.2474 COCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000233755 [0,0,0,0,0,0|2,0,0]=2 112 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000233755 [0,0,0,0,0,0|1,1,0]=2 113 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000233755_100011216954 [0,0,0,0,0,0|1,1,0]=2 114 B19R2.2474 COCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766300 [0,0,0,0,0,0|3,0,0]=3 115 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000751147 [0,0,0,0,0,0|2,0,0]=2 116 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100020590264_100000211591 [0,0,0,0,0,0|2,0,0]=2 117 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 270004a_100020590264_100000210122 [0,0,0,0,0,0|2,0,0]=2 118 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000212216 [0,0,0,0,0,0|2,0,0]=2 119 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000751147 [0,0,0,0,0,0|3,0,0]=3 120 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 270004a_100020590264_100000210380 [0,0,0,0,0,0|3,0,0]=3 121 B19R2.2474 CSCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000751147 [0,0,0,0,0,0|3,0,0]=3 122 B19R2.2474 CSCCNC(c1ccccc1)c2cccnc2 270004a_100020590264_100000735413 [0,0,0,0,0,0|3,0,0]=3 123 B19R2.2474 CSCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000751147 [0,0,0,0,0,0|3,0,0]=3 124 B19R2.2474 CSCCNC(c1cccnc1)c2ccccn2 270004a_100020590264_100011376182 [0,0,0,0,0,0|4,0,0]=4 125 B19R2.2474 CSCCNC(c1cccnc1)c2cccnc2 270004a_100020590264_200011376183 [0,0,0,0,0,0|4,0,0]=4 126 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000212216 [0,0,0,0,0,0|1,0,0]=1 127 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200000210301 [0,0,0,0,0,0|1,0,0]=1 128 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_200000210301_100000734929 [0,0,0,0,0,0|1,0,0]=1 129 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000212216 [0,0,0,0,0,0|1,0,0]=1 130 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000230434_100011216954 [0,0,0,0,0,0|1,0,0]=1 131 B19R2.2474 CSCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000212216 [0,0,0,0,0,0|2,0,0]=2 132 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000751147 [0,0,0,0,0,0|1,1,0]=2 133 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000212216_100011216954 [0,0,0,0,0,0|1,1,0]=2 134 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218213 [0,0,0,0,0,0|3,0,0]=3 135 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218213 [0,0,0,0,0,0|3,0,0]=3 136 B19R2.2474 CSCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218213 [0,0,0,0,0,0|3,0,0]=3 137 B19R2.2474 FCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011934791 [0,0,0,0,0,0|3,0,0]=3 138 B19R2.2474 FCCCNC(c1ccccc1)c2ccccc2 2230a_100015189416_100000211591 [0,0,0,0,0,0|3,0,0]=3 139 B19R2.2474 FCCCNC(c1ccccc1)c2ccccc2 270004a_100015189416_100000210122 [0,0,0,0,0,0|3,0,0]=3 140 B19R2.2474 FCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011934791 [0,0,0,0,0,0|3,0,0]=3 141 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011934791 [0,0,0,0,0,0|4,0,0]=4 142 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 270004a_100015189416_100000210380 [0,0,0,0,0,0|4,0,0]=4 143 B19R2.2474 FCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011934791 [0,0,0,0,0,0|4,0,0]=4 144 B19R2.2474 FCCCNC(c1ccccc1)c2cccnc2 270004a_100015189416_100000735413 [0,0,0,0,0,0|4,0,0]=4 145 B19R2.2474 FCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011934791 [0,0,0,0,0,0|4,0,0]=4 146 B19R2.2474 FCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011934791 [0,0,0,0,0,0|2,0,0]=2 147 B19R2.2474 FCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011934791 [0,0,0,0,0,0|2,0,0]=2 148 B19R2.2474 FCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011934791 [0,0,0,0,0,0|3,0,0]=3 149 B19R2.2474 FCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011934791 [0,0,0,0,0,0|2,1,0]=3 150 B19R2.2474 FCCCSC(c1ccccc1)c2ccccc2 62a_100011934791_100011216954 [0,0,0,0,0,0|2,1,0]=3 151 B19R2.2474 FCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011217306 [0,0,0,0,0,0|4,0,0]=4 152 B19R2.2474 FCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011217306 [0,0,0,0,0,0|4,0,0]=4 153 B19R2.2474 FCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011217306 [0,0,0,0,0,0|4,0,0]=4 154 B19R2.2474 FCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011217306 [0,0,0,0,0,0|4,0,0]=4 155 B19R2.2474 FCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100015361967 [0,0,0,0,0,0|4,0,0]=4 156 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100015361967 [0,0,0,0,0,0|4,0,0]=4 157 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100015361967 [0,0,0,0,0,0|4,0,0]=4 158 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100015361967 [0,0,0,0,0,0|4,0,0]=4 159 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100015361967_100009813428 [0,0,0,0,0,0|4,0,0]=4 160 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215226 [0,0,0,0,0,0|3,0,0]=3 161 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccc2 270004a_100000720768_100000210122 [0,0,0,0,0,0|3,0,0]=3 162 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215226 [0,0,0,0,0,0|4,0,0]=4 163 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 270004a_100000720768_100000210380 [0,0,0,0,0,0|4,0,0]=4 164 B19R2.2474 N#CCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011215226 [0,0,0,0,0,0|4,0,0]=4 165 B19R2.2474 N#CCCNC(c1ccccc1)c2cccnc2 270004a_100000720768_100000735413 [0,0,0,0,0,0|4,0,0]=4 166 B19R2.2474 N#CCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011215226 [0,0,0,0,0,0|4,0,0]=4 167 B19R2.2474 N#CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000184422 [0,0,0,0,0,0|2,0,0]=2 168 B19R2.2474 N#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000184422 [0,0,0,0,0,0|3,0,0]=3 169 B19R2.2474 N#CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215226 [0,0,0,0,0,0|2,1,0]=3 170 B19R2.2474 N#CCCSC(c1ccccc1)c2ccccc2 62a_100011215226_100011216954 [0,0,0,0,0,0|2,1,0]=3 171 B19R2.2474 N#CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011215382 [0,0,0,0,0,0|4,0,0]=4 172 B19R2.2474 N#CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215382 [0,0,0,0,0,0|4,0,0]=4 173 B19R2.2474 N#CSCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000211825 [0,0,0,0,0,0|3,1,0]=4 174 B19R2.2474 N#CSCSC(c1ccccc1)c2ccccc2 62a_100000211825_100011216954 [0,0,0,0,0,0|3,1,0]=4 175 B19R2.2474 O=CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200015260668 [0,0,0,0,0,0|4,0,0]=4 176 B19R2.2474 O=CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_200009817547 [0,0,0,0,0,0|4,0,0]=4 177 B19R2.2474 O=CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_200009817547 [0,0,0,0,0,0|4,0,0]=4 178 B19R2.2474 O=CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_200015260668 [0,0,0,0,0,0|4,0,0]=4 179 B19R2.2474 OCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000230001 [0,0,0,0,0,0|3,0,0]=3 180 B19R2.2474 OCCCNC(c1ccccc1)c2ccccc2 270004a_100000182051_100000210122 [0,0,0,0,0,0|3,0,0]=3 181 B19R2.2474 OCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000230001 [0,0,0,0,0,0|3,0,0]=3 182 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000230001 [0,0,0,0,0,0|4,0,0]=4 183 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 270004a_100000182051_100000210380 [0,0,0,0,0,0|4,0,0]=4 184 B19R2.2474 OCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000230001 [0,0,0,0,0,0|4,0,0]=4 185 B19R2.2474 OCCCNC(c1ccccc1)c2cccnc2 270004a_100000182051_100000735413 [0,0,0,0,0,0|4,0,0]=4 186 B19R2.2474 OCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000230001 [0,0,0,0,0,0|4,0,0]=4 187 B19R2.2474 OCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000230001 [0,0,0,0,0,0|2,0,0]=2 188 B19R2.2474 OCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215043 [0,0,0,0,0,0|2,0,0]=2 189 B19R2.2474 OCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215043 [0,0,0,0,0,0|3,0,0]=3 190 B19R2.2474 OCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215043 [0,0,0,0,0,0|2,1,0]=3 191 B19R2.2474 OCCCSC(c1ccccc1)c2ccccc2 62a_100011215043_100011216954 [0,0,0,0,0,0|2,1,0]=3 192 B19R2.2474 OCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000211926 [0,0,0,0,0,0|4,0,0]=4 193 B19R2.2474 OCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000211926 [0,0,0,0,0,0|4,0,0]=4 194 B19R2.2474 OCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000211926 [0,0,0,0,0,0|4,0,0]=4 195 B19R2.2474 OCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000211926 [0,0,0,0,0,0|4,0,0]=4 196 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200025704644 [0,0,0,0,0,0|2,0,0]=2 197 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200025704644 [0,0,0,0,0,0|2,0,0]=2 198 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200025704644 [0,0,0,0,0,0|1,0,0]=1 199 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_200025704644_100000734929 [0,0,0,0,0,0|1,0,0]=1 200 B18R2.40 C#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000038162 [1,0,0,0,0,0|1,0,2]=4 201 B18R2.40 C#CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000184674 [1,0,0,0,0,0|1,0,2]=4 202 B18R2.40 C#CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000184674 [1,0,0,0,0,0|0,0,2]=3 203 B18R2.40 C#CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000038162 [1,0,0,0,0,0|0,0,2]=3 204 B18R2.40 C#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000038162 [1,0,0,0,0,0|1,0,2]=4 205 B18R2.40 C#CCSC(c1ccccc1)c2ccccc2 62a_100000038162_100011216954 [1,0,0,0,0,0|0,1,2]=4 206 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210623 [1,0,0,0,0,0|1,0,2]=4 207 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 2230a_100020586998_100000211591 [1,0,0,0,0,0|1,0,2]=4 208 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 270004a_100020586998_100000210122 [1,0,0,0,0,0|1,0,2]=4 209 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015514636 [1,0,0,0,0,0|1,0,2]=4 210 B18R2.40 C=CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100015514636 [1,0,0,0,0,0|0,0,2]=3 211 B18R2.40 C=CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100015514636 [1,0,0,0,0,0|0,0,2]=3 212 B18R2.40 C=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015514636 [1,0,0,0,0,0|1,0,2]=4 213 B18R2.40 C=CCSC(c1ccccc1)c2ccccc2 62a_100000210623_100011216954 [1,0,0,0,0,0|0,1,2]=4 214 B18R2.40 C=CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210623 [1,0,0,0,0,0|0,1,2]=4 215 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210303 [1,0,0,0,0,0|1,0,0]=2 216 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 270004a_100020643023_100000210122 [1,0,0,0,0,0|1,0,0]=2 217 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210303 [1,0,0,0,0,0|1,0,0]=2 218 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210303 [1,0,0,0,0,0|2,0,0]=3 219 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 270004a_100020643023_100000210380 [1,0,0,0,0,0|2,0,0]=3 220 B18R2.40 CCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210303 [1,0,0,0,0,0|2,0,0]=3 221 B18R2.40 CCCNC(c1ccccc1)c2cccnc2 270004a_100020643023_100000735413 [1,0,0,0,0,0|2,0,0]=3 222 B18R2.40 CCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210303 [1,0,0,0,0,0|2,0,0]=3 223 B18R2.40 CCCNC(c1cccnc1)c2ccccn2 270004a_100020643023_100011376182 [1,0,0,0,0,0|3,0,0]=4 224 B18R2.40 CCCNC(c1cccnc1)c2cccnc2 270004a_100020643023_200011376183 [1,0,0,0,0,0|3,0,0]=4 225 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210303 [1,0,0,0,0,0|0,0,0]=1 226 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210303 [1,0,0,0,0,0|0,0,0]=1 227 B18R2.40 CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210303 [1,0,0,0,0,0|1,0,0]=2 228 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000210303_100011216954 [1,0,0,0,0,0|0,1,0]=2 229 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210303 [1,0,0,0,0,0|0,1,0]=2 230 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210202 [1,0,0,0,0,0|2,0,0]=3 231 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210202 [1,0,0,0,0,0|2,0,0]=3 232 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210202 [1,0,0,0,0,0|2,0,0]=3 233 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210202 [1,0,0,0,0,0|2,0,0]=3 234 B18R2.40 CNCC=C(c1ccccc1)c2ccccc2 270004a_106832991635_100000050448 [1,0,0,0,0,0|0,0,2]=3 235 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000210301 [1,0,0,0,0,0|0,0,0]=1 236 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_106832991635_100009813428 [1,0,0,0,0,0|0,0,0]=1 237 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200000210301 [1,0,0,0,0,0|0,0,0]=1 238 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100102657272_100009813428 [1,0,0,0,0,0|0,0,0]=1 239 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 7a_106832991635_100009813428 [1,0,0,0,0,0|0,0,0]=1 240 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200000210301 [1,0,0,0,0,0|1,0,0]=2 241 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_200000210301 [1,0,0,0,0,0|1,0,0]=2 242 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 2230a_106832991635_100010140906 [1,0,0,0,0,0|1,0,0]=2 243 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 7a_106832991635_100010140906 [1,0,0,0,0,0|1,0,0]=2 244 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100000032380_200000210301 [1,0,0,0,0,0|1,0,0]=2 245 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100138415774_100009813428 [1,0,0,0,0,0|1,0,0]=2 246 B18R2.40 COCCC(c1ccccc1)c2ccccc2 7a_100000032380_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B18R2.40 COCCN(c1ccccc1)c2ccccc2 34a_100010001939_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B18R2.40 COCCN(c1ccccc1)c2ccccc2 7a_100010001939_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B18R2.40 COCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000766300 [1,0,0,0,0,0|2,0,0]=3 250 B18R2.40 COCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000766300 [1,0,0,0,0,0|3,0,0]=4 251 B18R2.40 COCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000766300 [1,0,0,0,0,0|3,0,0]=4 252 B18R2.40 COCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000766300 [1,0,0,0,0,0|3,0,0]=4 253 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000766300 [1,0,0,0,0,0|1,1,0]=3 254 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000766300_100011216954 [1,0,0,0,0,0|1,1,0]=3 255 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_200000210301 [1,0,0,0,0,0|1,0,0]=2 256 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_200000210301_100009813428 [1,0,0,0,0,0|1,0,0]=2 257 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200000210301 [1,0,0,0,0,0|2,0,0]=3 258 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_200000210301_100010140906 [1,0,0,0,0,0|2,0,0]=3 259 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218213 [1,0,0,0,0,0|2,0,0]=3 260 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218213 [1,0,0,0,0,0|2,0,0]=3 261 B18R2.40 CSCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218213 [1,0,0,0,0,0|3,0,0]=4 262 B18R2.40 CSCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011218213 [1,0,0,0,0,0|3,0,0]=4 263 B18R2.40 CSCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011218213 [1,0,0,0,0,0|3,0,0]=4 264 B18R2.40 CSCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011218213 [1,0,0,0,0,0|1,0,0]=2 265 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218213 [1,0,0,0,0,0|1,1,0]=3 266 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100011218213_100011216954 [1,0,0,0,0,0|1,1,0]=3 267 B18R2.40 FCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011217306 [1,0,0,0,0,0|2,0,0]=3 268 B18R2.40 FCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011217306 [1,0,0,0,0,0|2,0,0]=3 269 B18R2.40 FCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011217306 [1,0,0,0,0,0|3,0,0]=4 270 B18R2.40 FCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011217306 [1,0,0,0,0,0|3,0,0]=4 271 B18R2.40 FCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011217306 [1,0,0,0,0,0|3,0,0]=4 272 B18R2.40 FCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011217306 [1,0,0,0,0,0|1,0,0]=2 273 B18R2.40 FCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011217306 [1,0,0,0,0,0|1,0,0]=2 274 B18R2.40 FCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011217306 [1,0,0,0,0,0|2,0,0]=3 275 B18R2.40 FCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011217306 [1,0,0,0,0,0|1,1,0]=3 276 B18R2.40 FCCSC(c1ccccc1)c2ccccc2 62a_100011217306_100011216954 [1,0,0,0,0,0|1,1,0]=3 277 B18R2.40 FCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100015361967 [1,0,0,0,0,0|3,0,0]=4 278 B18R2.40 FCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100015361967 [1,0,0,0,0,0|3,0,0]=4 279 B18R2.40 FCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100015361967 [1,0,0,0,0,0|3,0,0]=4 280 B18R2.40 N#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215382 [1,0,0,0,0,0|1,0,2]=4 281 B18R2.40 N#CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215382 [1,0,0,0,0,0|0,0,2]=3 282 B18R2.40 N#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215382 [1,0,0,0,0,0|1,0,2]=4 283 B18R2.40 N#CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215382 [1,0,0,0,0,0|0,1,2]=4 284 B18R2.40 N#CCSC(c1ccccc1)c2ccccc2 62a_100011215382_100011216954 [1,0,0,0,0,0|0,1,2]=4 285 B18R2.40 O=CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200015260668 [1,0,0,0,0,0|2,0,1]=4 286 B18R2.40 O=CCNC(c1ccccc1)c2ccccc2 34a_100000162943_200009817547 [1,0,0,0,0,0|2,0,1]=4 287 B18R2.40 O=CCOC(c1ccccc1)c2ccccc2 34a_100000211180_200009817547 [1,0,0,0,0,0|1,0,1]=3 288 B18R2.40 O=CCOC(c1ccccc1)c2ccccc2 7a_100000211180_200015260668 [1,0,0,0,0,0|1,0,1]=3 289 B18R2.40 O=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200015260668 [1,0,0,0,0,0|2,0,1]=4 290 B18R2.40 O=CCSC(c1ccccc1)c2ccccc2 62a_100000211591_200015260668 [1,0,0,0,0,0|1,1,1]=4 291 B18R2.40 O=CCSC(c1ccccc1)c2ccccc2 62a_200015260668_100011216954 [1,0,0,0,0,0|1,1,1]=4 292 B18R2.40 OCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000211926 [1,0,0,0,0,0|2,0,0]=3 293 B18R2.40 OCCNC(c1ccccc1)c2ccccc2 2230a_100016997473_100000211591 [1,0,0,0,0,0|2,0,0]=3 294 B18R2.40 OCCNC(c1ccccc1)c2ccccc2 270004a_100000210304_100000210122 [1,0,0,0,0,0|2,0,0]=3 295 B18R2.40 OCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000211926 [1,0,0,0,0,0|2,0,0]=3 296 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000211926 [1,0,0,0,0,0|3,0,0]=4 297 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 270004a_100000210304_100000210380 [1,0,0,0,0,0|3,0,0]=4 298 B18R2.40 OCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000211926 [1,0,0,0,0,0|3,0,0]=4 299 B18R2.40 OCCNC(c1ccccc1)c2cccnc2 270004a_100000210304_100000735413 [1,0,0,0,0,0|3,0,0]=4 300 B18R2.40 OCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000211926 [1,0,0,0,0,0|3,0,0]=4 301 B18R2.40 OCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000211926 [1,0,0,0,0,0|1,0,0]=2 302 B18R2.40 OCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000211926 [1,0,0,0,0,0|1,0,0]=2 303 B18R2.40 OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211926 [1,0,0,0,0,0|2,0,0]=3 304 B18R2.40 OCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000211926 [1,0,0,0,0,0|1,1,0]=3 305 B18R2.40 OCCSC(c1ccccc1)c2ccccc2 62a_100000211926_100011216954 [1,0,0,0,0,0|1,1,0]=3 306 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200025704644 [1,0,0,0,0,0|0,0,0]=1 307 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 34a_100000272388_200025704644 [1,0,0,0,0,0|0,0,0]=1 308 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200025704644 [1,0,0,0,0,0|1,0,0]=2 309 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 34a_107094377242_200025704644 [1,0,0,0,0,0|1,0,0]=2 310 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 34a_100000032380_200025704644 [1,0,0,0,0,0|1,0,0]=2 311 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 7a_100000032380_200025704644 [1,0,0,0,0,0|1,0,0]=2 312 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 34a_100010001939_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 7a_100010001939_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_100009813428_200025704644 [1,0,0,0,0,0|1,0,0]=2 315 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_200025704644_100009813428 [1,0,0,0,0,0|1,0,0]=2 316 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200025704644 [1,0,0,0,0,0|2,0,0]=3 317 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_200025704644_100010140906 [1,0,0,0,0,0|2,0,0]=3 318 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000688953 [0,1,0,0,0,0|2,0,1]=4 319 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000688953 [0,1,0,0,0,0|2,0,1]=4 320 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000688953 [0,1,0,0,0,0|2,0,1]=4 321 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000688953 [0,1,0,0,0,0|2,0,1]=4 322 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000688953 [0,1,0,0,0,0|2,0,1]=4 323 B20R2.2498 C#CCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000688953 [0,1,0,0,0,0|2,0,1]=4 324 B20R2.2498 C#CCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000688953 [0,1,0,0,0,0|1,0,1]=3 325 B20R2.2498 C#CCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000688953 [0,1,0,0,0,0|1,0,1]=3 326 B20R2.2498 C#CCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000688953 [0,1,0,0,0,0|1,0,1]=3 327 B20R2.2498 C#CCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000688953 [0,1,0,0,0,0|1,0,1]=3 328 B20R2.2498 C/C=C/CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100102629194 [0,1,0,0,0,0|2,0,1]=4 329 B20R2.2498 C/C=C/CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100102629194 [0,1,0,0,0,0|2,0,1]=4 330 B20R2.2498 C/C=C/CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100102629194 [0,1,0,0,0,0|2,0,1]=4 331 B20R2.2498 C/C=C/COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100102629194 [0,1,0,0,0,0|1,0,1]=3 332 B20R2.2498 C/C=C/COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100102629194 [0,1,0,0,0,0|1,0,1]=3 333 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000754431 [0,1,0,0,0,0|2,0,1]=4 334 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100015191253_100011267660 [0,1,0,0,0,0|2,0,1]=4 335 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000754431 [0,1,0,0,0,0|2,0,1]=4 336 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)C 270004a_100015191253_100011217825 [0,1,0,0,0,0|2,0,1]=4 337 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000754431 [0,1,0,0,0,0|2,0,1]=4 338 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100015191253_100011215489 [0,1,0,0,0,0|2,0,1]=4 339 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000754431 [0,1,0,0,0,0|2,0,1]=4 340 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000754431 [0,1,0,0,0,0|2,0,1]=4 341 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)F 270004a_100015191253_200011219850 [0,1,0,0,0,0|2,0,1]=4 342 B20R2.2498 C=CCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000754431 [0,1,0,0,0,0|2,0,1]=4 343 B20R2.2498 C=CCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000754431 [0,1,0,0,0,0|1,0,1]=3 344 B20R2.2498 C=CCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000754431 [0,1,0,0,0,0|1,0,1]=3 345 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000748600 [0,1,0,0,0,0|2,0,1]=4 346 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000748600 [0,1,0,0,0,0|2,0,1]=4 347 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000748600 [0,1,0,0,0,0|2,0,1]=4 348 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000748600 [0,1,0,0,0,0|2,0,1]=4 349 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000748600 [0,1,0,0,0,0|2,0,1]=4 350 B20R2.2498 CC#CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000748600 [0,1,0,0,0,0|2,0,1]=4 351 B20R2.2498 CC#CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000748600 [0,1,0,0,0,0|1,0,1]=3 352 B20R2.2498 CC#CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000748600 [0,1,0,0,0,0|1,0,1]=3 353 B20R2.2498 CC#CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000748600 [0,1,0,0,0,0|1,0,1]=3 354 B20R2.2498 CC#CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000748600 [0,1,0,0,0,0|1,0,1]=3 355 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000070051 [0,1,0,0,0,0|2,0,1]=4 356 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000070051 [0,1,0,0,0,0|2,0,1]=4 357 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000070051 [0,1,0,0,0,0|2,0,1]=4 358 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000070051 [0,1,0,0,0,0|2,0,1]=4 359 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000070051 [0,1,0,0,0,0|2,0,1]=4 360 B20R2.2498 CC=CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000070051 [0,1,0,0,0,0|2,0,1]=4 361 B20R2.2498 CC=CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000070051 [0,1,0,0,0,0|1,0,1]=3 362 B20R2.2498 CC=CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000070051 [0,1,0,0,0,0|1,0,1]=3 363 B20R2.2498 CCCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000102301_100000688346 [0,1,0,0,0,0|3,0,0]=4 364 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210211 [0,1,0,0,0,0|2,0,0]=3 365 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000102301_100011267660 [0,1,0,0,0,0|2,0,0]=3 366 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210210 [0,1,0,0,0,0|2,0,0]=3 367 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)C 270004a_100000102301_100011217825 [0,1,0,0,0,0|2,0,0]=3 368 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210211 [0,1,0,0,0,0|2,0,0]=3 369 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000102301_100011215489 [0,1,0,0,0,0|2,0,0]=3 370 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210210 [0,1,0,0,0,0|2,0,0]=3 371 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210211 [0,1,0,0,0,0|2,0,0]=3 372 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000102301_200011219850 [0,1,0,0,0,0|2,0,0]=3 373 B20R2.2498 CCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210210 [0,1,0,0,0,0|2,0,0]=3 374 B20R2.2498 CCCCNC(c1ccccc1)c2cncc(c2)Br 270004a_100000102301_100011267668 [0,1,0,0,0,0|3,0,0]=4 375 B20R2.2498 CCCCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100000102301_100000752423 [0,1,0,0,0,0|3,0,0]=4 376 B20R2.2498 CCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210210 [0,1,0,0,0,0|1,0,0]=2 377 B20R2.2498 CCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210211 [0,1,0,0,0,0|1,0,0]=2 378 B20R2.2498 COCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000209980_100000688346 [0,1,0,0,0,0|3,0,0]=4 379 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011201679 [0,1,0,0,0,0|2,0,0]=3 380 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000209980_100011267660 [0,1,0,0,0,0|2,0,0]=3 381 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011201679 [0,1,0,0,0,0|2,0,0]=3 382 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)C 270004a_100000209980_100011217825 [0,1,0,0,0,0|2,0,0]=3 383 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011201679 [0,1,0,0,0,0|2,0,0]=3 384 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000209980_100011215489 [0,1,0,0,0,0|2,0,0]=3 385 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011201679 [0,1,0,0,0,0|2,0,0]=3 386 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011201679 [0,1,0,0,0,0|2,0,0]=3 387 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000209980_200011219850 [0,1,0,0,0,0|2,0,0]=3 388 B20R2.2498 COCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011201679 [0,1,0,0,0,0|2,0,0]=3 389 B20R2.2498 COCCNC(c1ccccc1)c2cncc(c2)Br 270004a_100000209980_100011267668 [0,1,0,0,0,0|3,0,0]=4 390 B20R2.2498 COCCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100000209980_100000752423 [0,1,0,0,0,0|3,0,0]=4 391 B20R2.2498 COCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011201679 [0,1,0,0,0,0|1,0,0]=2 392 B20R2.2498 COCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000233755 [0,1,0,0,0,0|1,0,0]=2 393 B20R2.2498 COCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011201679 [0,1,0,0,0,0|1,0,0]=2 394 B20R2.2498 COCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000233755 [0,1,0,0,0,0|1,0,0]=2 395 B20R2.2498 CSCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020590264_100000688346 [0,1,0,0,0,0|3,0,0]=4 396 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000751147 [0,1,0,0,0,0|2,0,0]=3 397 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100020590264_100011267660 [0,1,0,0,0,0|2,0,0]=3 398 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000212216 [0,1,0,0,0,0|2,0,0]=3 399 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)C 270004a_100020590264_100011217825 [0,1,0,0,0,0|2,0,0]=3 400 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000751147 [0,1,0,0,0,0|2,0,0]=3 401 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100020590264_100011215489 [0,1,0,0,0,0|2,0,0]=3 402 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000212216 [0,1,0,0,0,0|2,0,0]=3 403 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000751147 [0,1,0,0,0,0|2,0,0]=3 404 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)F 270004a_100020590264_200011219850 [0,1,0,0,0,0|2,0,0]=3 405 B20R2.2498 CSCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000212216 [0,1,0,0,0,0|2,0,0]=3 406 B20R2.2498 CSCCNC(c1ccccc1)c2cncc(c2)Br 270004a_100020590264_100011267668 [0,1,0,0,0,0|3,0,0]=4 407 B20R2.2498 CSCCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100020590264_100000752423 [0,1,0,0,0,0|3,0,0]=4 408 B20R2.2498 CSCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000212216 [0,1,0,0,0,0|1,0,0]=2 409 B20R2.2498 CSCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000212216 [0,1,0,0,0,0|1,0,0]=2 410 B20R2.2498 CSCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000212216 [0,1,0,0,0,0|1,0,0]=2 411 B20R2.2498 CSCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000212216 [0,1,0,0,0,0|1,0,0]=2 412 B20R2.2498 Cc1cccc(c1)C(NCCC#N)c2ccccc2 270004a_100000720768_100011217825 [0,1,0,0,0,0|3,0,0]=4 413 B20R2.2498 Cc1cccc(c1)C(NCCCF)c2ccccc2 270004a_100015189416_100011217825 [0,1,0,0,0,0|3,0,0]=4 414 B20R2.2498 Cc1cccc(c1)C(NCCCO)c2ccccc2 270004a_100000182051_100011217825 [0,1,0,0,0,0|3,0,0]=4 415 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011934791 [0,1,0,0,0,0|3,0,0]=4 416 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100015189416_100011267660 [0,1,0,0,0,0|3,0,0]=4 417 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011934791 [0,1,0,0,0,0|3,0,0]=4 418 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011934791 [0,1,0,0,0,0|3,0,0]=4 419 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100015189416_100011215489 [0,1,0,0,0,0|3,0,0]=4 420 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011934791 [0,1,0,0,0,0|3,0,0]=4 421 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011934791 [0,1,0,0,0,0|3,0,0]=4 422 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100015189416_200011219850 [0,1,0,0,0,0|3,0,0]=4 423 B20R2.2498 FCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011934791 [0,1,0,0,0,0|3,0,0]=4 424 B20R2.2498 FCCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011934791 [0,1,0,0,0,0|2,0,0]=3 425 B20R2.2498 FCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011934791 [0,1,0,0,0,0|2,0,0]=3 426 B20R2.2498 FCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011934791 [0,1,0,0,0,0|2,0,0]=3 427 B20R2.2498 FCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011934791 [0,1,0,0,0,0|2,0,0]=3 428 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011215226 [0,1,0,0,0,0|3,0,0]=4 429 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000720768_100011267660 [0,1,0,0,0,0|3,0,0]=4 430 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011215226 [0,1,0,0,0,0|3,0,0]=4 431 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000720768_100011215489 [0,1,0,0,0,0|3,0,0]=4 432 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011215226 [0,1,0,0,0,0|3,0,0]=4 433 B20R2.2498 N#CCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000720768_200011219850 [0,1,0,0,0,0|3,0,0]=4 434 B20R2.2498 N#CCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000184422 [0,1,0,0,0,0|2,0,0]=3 435 B20R2.2498 N#CCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000184422 [0,1,0,0,0,0|2,0,0]=3 436 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000230001 [0,1,0,0,0,0|3,0,0]=4 437 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000182051_100011267660 [0,1,0,0,0,0|3,0,0]=4 438 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000230001 [0,1,0,0,0,0|3,0,0]=4 439 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000230001 [0,1,0,0,0,0|3,0,0]=4 440 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000182051_100011215489 [0,1,0,0,0,0|3,0,0]=4 441 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000230001 [0,1,0,0,0,0|3,0,0]=4 442 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000230001 [0,1,0,0,0,0|3,0,0]=4 443 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000182051_200011219850 [0,1,0,0,0,0|3,0,0]=4 444 B20R2.2498 OCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000230001 [0,1,0,0,0,0|3,0,0]=4 445 B20R2.2498 OCCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000230001 [0,1,0,0,0,0|2,0,0]=3 446 B20R2.2498 OCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011215043 [0,1,0,0,0,0|2,0,0]=3 447 B20R2.2498 OCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000230001 [0,1,0,0,0,0|2,0,0]=3 448 B20R2.2498 OCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011215043 [0,1,0,0,0,0|2,0,0]=3 449 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000688953 [0,1,0,0,0,0|2,0,1]=4 450 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000688953 [0,1,0,0,0,0|2,0,1]=4 451 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000688953 [0,1,0,0,0,0|2,0,1]=4 452 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000688953 [0,1,0,0,0,0|2,0,1]=4 453 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000688953 [0,1,0,0,0,0|2,0,1]=4 454 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000688953 [0,1,0,0,0,0|2,0,1]=4 455 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000688953 [0,1,0,0,0,0|2,0,1]=4 456 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000688953 [0,1,0,0,0,0|2,0,1]=4 457 B20R2.2501 C#CCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000688953 [0,1,0,0,0,0|2,0,1]=4 458 B20R2.2501 C#CCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000688953 [0,1,0,0,0,0|2,0,1]=4 459 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000688953 [0,1,0,0,0,0|1,0,1]=3 460 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000688953 [0,1,0,0,0,0|1,0,1]=3 461 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000688953 [0,1,0,0,0,0|1,0,1]=3 462 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000688953 [0,1,0,0,0,0|1,0,1]=3 463 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000688953 [0,1,0,0,0,0|1,0,1]=3 464 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000688953 [0,1,0,0,0,0|1,0,1]=3 465 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000688953 [0,1,0,0,0,0|1,0,1]=3 466 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000688953 [0,1,0,0,0,0|1,0,1]=3 467 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000688953 [0,1,0,0,0,0|1,0,1]=3 468 B20R2.2501 C#CCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000688953 [0,1,0,0,0,0|1,0,1]=3 469 B20R2.2501 C#CCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000688953 [0,1,0,0,0,0|2,0,1]=4 470 B20R2.2501 C/C=C/CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100102629194 [0,1,0,0,0,0|2,0,1]=4 471 B20R2.2501 C/C=C/CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100102629194 [0,1,0,0,0,0|2,0,1]=4 472 B20R2.2501 C/C=C/CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100102629194 [0,1,0,0,0,0|2,0,1]=4 473 B20R2.2501 C/C=C/CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100102629194 [0,1,0,0,0,0|2,0,1]=4 474 B20R2.2501 C/C=C/CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100102629194 [0,1,0,0,0,0|2,0,1]=4 475 B20R2.2501 C/C=C/COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100102629194 [0,1,0,0,0,0|2,0,1]=4 476 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100102629194 [0,1,0,0,0,0|1,0,1]=3 477 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100102629194 [0,1,0,0,0,0|1,0,1]=3 478 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100102629194 [0,1,0,0,0,0|1,0,1]=3 479 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100102629194 [0,1,0,0,0,0|1,0,1]=3 480 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100102629194 [0,1,0,0,0,0|1,0,1]=3 481 B20R2.2501 C/C=C/COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100102629194 [0,1,0,0,0,0|1,0,1]=3 482 B20R2.2501 C/C=C/COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100102629194 [0,1,0,0,0,0|2,0,1]=4 483 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000754431 [0,1,0,0,0,0|2,0,1]=4 484 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100015191253_100000718703 [0,1,0,0,0,0|2,0,1]=4 485 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000754431 [0,1,0,0,0,0|2,0,1]=4 486 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000754431 [0,1,0,0,0,0|2,0,1]=4 487 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100015191253_100000210966 [0,1,0,0,0,0|2,0,1]=4 488 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000754431 [0,1,0,0,0,0|2,0,1]=4 489 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000754431 [0,1,0,0,0,0|2,0,1]=4 490 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100015191253_100000211669 [0,1,0,0,0,0|2,0,1]=4 491 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100015191253_100000211064 [0,1,0,0,0,0|2,0,1]=4 492 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000754431 [0,1,0,0,0,0|2,0,1]=4 493 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000754431 [0,1,0,0,0,0|2,0,1]=4 494 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100015191253_100000210425 [0,1,0,0,0,0|2,0,1]=4 495 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000754431 [0,1,0,0,0,0|2,0,1]=4 496 B20R2.2501 C=CCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000754431 [0,1,0,0,0,0|2,0,1]=4 497 B20R2.2501 C=CCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000754431 [0,1,0,0,0,0|2,0,1]=4 498 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000754431 [0,1,0,0,0,0|1,0,1]=3 499 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000754431 [0,1,0,0,0,0|1,0,1]=3 500 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000754431 [0,1,0,0,0,0|1,0,1]=3 501 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000754431 [0,1,0,0,0,0|1,0,1]=3 502 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000754431 [0,1,0,0,0,0|1,0,1]=3 503 B20R2.2501 C=CCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000754431 [0,1,0,0,0,0|1,0,1]=3 504 B20R2.2501 C=CCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000754431 [0,1,0,0,0,0|2,0,1]=4 505 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000748600 [0,1,0,0,0,0|2,0,1]=4 506 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000748600 [0,1,0,0,0,0|2,0,1]=4 507 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000748600 [0,1,0,0,0,0|2,0,1]=4 508 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000748600 [0,1,0,0,0,0|2,0,1]=4 509 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000685387_100000211669 [0,1,0,0,0,0|2,0,1]=4 510 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000748600 [0,1,0,0,0,0|2,0,1]=4 511 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000748600 [0,1,0,0,0,0|2,0,1]=4 512 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000748600 [0,1,0,0,0,0|2,0,1]=4 513 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000748600 [0,1,0,0,0,0|2,0,1]=4 514 B20R2.2501 CC#CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000748600 [0,1,0,0,0,0|2,0,1]=4 515 B20R2.2501 CC#CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000748600 [0,1,0,0,0,0|2,0,1]=4 516 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000748600 [0,1,0,0,0,0|1,0,1]=3 517 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000748600 [0,1,0,0,0,0|1,0,1]=3 518 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000748600 [0,1,0,0,0,0|1,0,1]=3 519 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000748600 [0,1,0,0,0,0|1,0,1]=3 520 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000748600 [0,1,0,0,0,0|1,0,1]=3 521 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000748600 [0,1,0,0,0,0|1,0,1]=3 522 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000748600 [0,1,0,0,0,0|1,0,1]=3 523 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000748600 [0,1,0,0,0,0|1,0,1]=3 524 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000748600 [0,1,0,0,0,0|1,0,1]=3 525 B20R2.2501 CC#CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000748600 [0,1,0,0,0,0|1,0,1]=3 526 B20R2.2501 CC#CCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000748600 [0,1,0,0,0,0|2,0,1]=4 527 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000070051 [0,1,0,0,0,0|2,0,1]=4 528 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000070051 [0,1,0,0,0,0|2,0,1]=4 529 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000070051 [0,1,0,0,0,0|2,0,1]=4 530 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000070051 [0,1,0,0,0,0|2,0,1]=4 531 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000070051 [0,1,0,0,0,0|2,0,1]=4 532 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000070051 [0,1,0,0,0,0|2,0,1]=4 533 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000070051 [0,1,0,0,0,0|2,0,1]=4 534 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000070051 [0,1,0,0,0,0|2,0,1]=4 535 B20R2.2501 CC=CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000070051 [0,1,0,0,0,0|2,0,1]=4 536 B20R2.2501 CC=CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000070051 [0,1,0,0,0,0|2,0,1]=4 537 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000070051 [0,1,0,0,0,0|1,0,1]=3 538 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000070051 [0,1,0,0,0,0|1,0,1]=3 539 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000070051 [0,1,0,0,0,0|1,0,1]=3 540 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000070051 [0,1,0,0,0,0|1,0,1]=3 541 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000070051 [0,1,0,0,0,0|1,0,1]=3 542 B20R2.2501 CC=CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000070051 [0,1,0,0,0,0|1,0,1]=3 543 B20R2.2501 CC=CCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000070051 [0,1,0,0,0,0|2,0,1]=4 544 B20R2.2501 CCCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000102301_200010179208 [0,1,0,0,0,0|3,0,0]=4 545 B20R2.2501 CCCCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100000102301_100000753996 [0,1,0,0,0,0|3,0,0]=4 546 B20R2.2501 CCCCNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000102301_200010188304 [0,1,0,0,0,0|3,0,0]=4 547 B20R2.2501 CCCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000102301_100000753647 [0,1,0,0,0,0|3,0,0]=4 548 B20R2.2501 CCCCNC(c1ccc(cc1)Cl)c2ccccn2 7a_106832991798_200010188304 [0,1,0,0,0,0|3,0,0]=4 549 B20R2.2501 CCCCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100000102301_100000753233 [0,1,0,0,0,0|3,0,0]=4 550 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210211 [0,1,0,0,0,0|2,0,0]=3 551 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000102301_100000718703 [0,1,0,0,0,0|2,0,0]=3 552 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210210 [0,1,0,0,0,0|2,0,0]=3 553 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000210211 [0,1,0,0,0,0|2,0,0]=3 554 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100000102301_100000210966 [0,1,0,0,0,0|2,0,0]=3 555 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000210210 [0,1,0,0,0,0|2,0,0]=3 556 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000102301_100000211669 [0,1,0,0,0,0|2,0,0]=3 557 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210211 [0,1,0,0,0,0|2,0,0]=3 558 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000102301_100000211064 [0,1,0,0,0,0|2,0,0]=3 559 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210210 [0,1,0,0,0,0|2,0,0]=3 560 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)Cl 7a_106832991798_100000211669 [0,1,0,0,0,0|2,0,0]=3 561 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210211 [0,1,0,0,0,0|2,0,0]=3 562 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000102301_100000210425 [0,1,0,0,0,0|2,0,0]=3 563 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210210 [0,1,0,0,0,0|2,0,0]=3 564 B20R2.2501 CCCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210210 [0,1,0,0,0,0|2,0,0]=3 565 B20R2.2501 CCCCNC(c1ccncc1)c2ccc(cc2)C 34a_200015185284_100000210210 [0,1,0,0,0,0|3,0,0]=4 566 B20R2.2501 CCCCNC(c1ccncc1)c2ccc(cc2)F 2230a_100000751741_100000210211 [0,1,0,0,0,0|3,0,0]=4 567 B20R2.2501 CCCCNC(c1ccncc1)c2ccc(cc2)F 34a_100000751741_100000210210 [0,1,0,0,0,0|3,0,0]=4 568 B20R2.2501 CCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210210 [0,1,0,0,0,0|2,0,0]=3 569 B20R2.2501 CCCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000210227_200010188304 [0,1,0,0,0,0|2,0,0]=3 570 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000210210 [0,1,0,0,0,0|1,0,0]=2 571 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000210211 [0,1,0,0,0,0|1,0,0]=2 572 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210210 [0,1,0,0,0,0|1,0,0]=2 573 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210211 [0,1,0,0,0,0|1,0,0]=2 574 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210210 [0,1,0,0,0,0|1,0,0]=2 575 B20R2.2501 CCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210211 [0,1,0,0,0,0|1,0,0]=2 576 B20R2.2501 CCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000210210 [0,1,0,0,0,0|2,0,0]=3 577 B20R2.2501 COCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000209980_200010179208 [0,1,0,0,0,0|3,0,0]=4 578 B20R2.2501 COCCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100000209980_100000753996 [0,1,0,0,0,0|3,0,0]=4 579 B20R2.2501 COCCNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000209980_200010188304 [0,1,0,0,0,0|3,0,0]=4 580 B20R2.2501 COCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000209980_100000753647 [0,1,0,0,0,0|3,0,0]=4 581 B20R2.2501 COCCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100000209980_100000753233 [0,1,0,0,0,0|3,0,0]=4 582 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011201679 [0,1,0,0,0,0|2,0,0]=3 583 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000209980_100000718703 [0,1,0,0,0,0|2,0,0]=3 584 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011201679 [0,1,0,0,0,0|2,0,0]=3 585 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100011201679 [0,1,0,0,0,0|2,0,0]=3 586 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100000209980_100000210966 [0,1,0,0,0,0|2,0,0]=3 587 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100011201679 [0,1,0,0,0,0|2,0,0]=3 588 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000209980_100000211669 [0,1,0,0,0,0|2,0,0]=3 589 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011201679 [0,1,0,0,0,0|2,0,0]=3 590 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000209980_100000211064 [0,1,0,0,0,0|2,0,0]=3 591 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011201679 [0,1,0,0,0,0|2,0,0]=3 592 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011201679 [0,1,0,0,0,0|2,0,0]=3 593 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000209980_100000210425 [0,1,0,0,0,0|2,0,0]=3 594 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011201679 [0,1,0,0,0,0|2,0,0]=3 595 B20R2.2501 COCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100011201679 [0,1,0,0,0,0|2,0,0]=3 596 B20R2.2501 COCCNC(c1ccncc1)c2ccc(cc2)C 34a_200015185284_100011201679 [0,1,0,0,0,0|3,0,0]=4 597 B20R2.2501 COCCNC(c1ccncc1)c2ccc(cc2)F 2230a_100000751741_100011201679 [0,1,0,0,0,0|3,0,0]=4 598 B20R2.2501 COCCNC(c1ccncc1)c2ccc(cc2)F 34a_100000751741_100011201679 [0,1,0,0,0,0|3,0,0]=4 599 B20R2.2501 COCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011201679 [0,1,0,0,0,0|2,0,0]=3 600 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011201679 [0,1,0,0,0,0|1,0,0]=2 601 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000233755 [0,1,0,0,0,0|1,0,0]=2 602 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100011201679 [0,1,0,0,0,0|1,0,0]=2 603 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000233755 [0,1,0,0,0,0|1,0,0]=2 604 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011201679 [0,1,0,0,0,0|1,0,0]=2 605 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000233755 [0,1,0,0,0,0|1,0,0]=2 606 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011201679 [0,1,0,0,0,0|1,0,0]=2 607 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000233755 [0,1,0,0,0,0|1,0,0]=2 608 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100011201679 [0,1,0,0,0,0|1,0,0]=2 609 B20R2.2501 COCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000233755 [0,1,0,0,0,0|1,0,0]=2 610 B20R2.2501 COCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011201679 [0,1,0,0,0,0|2,0,0]=3 611 B20R2.2501 COCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000233755_200010188304 [0,1,0,0,0,0|2,1,0]=4 612 B20R2.2501 COCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000233755 [0,1,0,0,0,0|2,1,0]=4 613 B20R2.2501 COCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000233755 [0,1,0,0,0,0|1,1,0]=3 614 B20R2.2501 COCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000233755_100000211669 [0,1,0,0,0,0|1,1,0]=3 615 B20R2.2501 CSCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020590264_200010179208 [0,1,0,0,0,0|3,0,0]=4 616 B20R2.2501 CSCCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100020590264_100000753996 [0,1,0,0,0,0|3,0,0]=4 617 B20R2.2501 CSCCNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100020590264_200010188304 [0,1,0,0,0,0|3,0,0]=4 618 B20R2.2501 CSCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020590264_100000753647 [0,1,0,0,0,0|3,0,0]=4 619 B20R2.2501 CSCCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100020590264_100000753233 [0,1,0,0,0,0|3,0,0]=4 620 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000751147 [0,1,0,0,0,0|2,0,0]=3 621 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100020590264_100000718703 [0,1,0,0,0,0|2,0,0]=3 622 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000212216 [0,1,0,0,0,0|2,0,0]=3 623 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000751147 [0,1,0,0,0,0|2,0,0]=3 624 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100020590264_100000210966 [0,1,0,0,0,0|2,0,0]=3 625 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000212216 [0,1,0,0,0,0|2,0,0]=3 626 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000751147 [0,1,0,0,0,0|2,0,0]=3 627 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100020590264_100000211669 [0,1,0,0,0,0|2,0,0]=3 628 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100020590264_100000211064 [0,1,0,0,0,0|2,0,0]=3 629 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000212216 [0,1,0,0,0,0|2,0,0]=3 630 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000751147 [0,1,0,0,0,0|2,0,0]=3 631 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100020590264_100000210425 [0,1,0,0,0,0|2,0,0]=3 632 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000212216 [0,1,0,0,0,0|2,0,0]=3 633 B20R2.2501 CSCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000212216 [0,1,0,0,0,0|2,0,0]=3 634 B20R2.2501 CSCCNC(c1ccncc1)c2ccc(cc2)C 34a_200015185284_100000212216 [0,1,0,0,0,0|3,0,0]=4 635 B20R2.2501 CSCCNC(c1ccncc1)c2ccc(cc2)F 2230a_100000751741_100000751147 [0,1,0,0,0,0|3,0,0]=4 636 B20R2.2501 CSCCNC(c1ccncc1)c2ccc(cc2)F 34a_100000751741_100000212216 [0,1,0,0,0,0|3,0,0]=4 637 B20R2.2501 CSCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000212216 [0,1,0,0,0,0|2,0,0]=3 638 B20R2.2501 CSCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000230434_200010188304 [0,1,0,0,0,0|2,0,0]=3 639 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000212216 [0,1,0,0,0,0|1,0,0]=2 640 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000212216 [0,1,0,0,0,0|1,0,0]=2 641 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000212216 [0,1,0,0,0,0|1,0,0]=2 642 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000212216 [0,1,0,0,0,0|1,0,0]=2 643 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000212216 [0,1,0,0,0,0|1,0,0]=2 644 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000212216 [0,1,0,0,0,0|1,0,0]=2 645 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000230434_100000211669 [0,1,0,0,0,0|1,0,0]=2 646 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000212216 [0,1,0,0,0,0|1,0,0]=2 647 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000212216 [0,1,0,0,0,0|1,0,0]=2 648 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000212216 [0,1,0,0,0,0|1,0,0]=2 649 B20R2.2501 CSCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000212216 [0,1,0,0,0,0|1,0,0]=2 650 B20R2.2501 CSCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000212216 [0,1,0,0,0,0|2,0,0]=3 651 B20R2.2501 CSCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000212216_200010188304 [0,1,0,0,0,0|2,1,0]=4 652 B20R2.2501 CSCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000751147 [0,1,0,0,0,0|2,1,0]=4 653 B20R2.2501 Cc1ccc(cc1)C(NCCC#N)c2ccccc2 2230a_100000736602_100011215226 [0,1,0,0,0,0|3,0,0]=4 654 B20R2.2501 Cc1ccc(cc1)C(NCCC#N)c2ccccc2 270004a_100000720768_100000210966 [0,1,0,0,0,0|3,0,0]=4 655 B20R2.2501 Cc1ccc(cc1)C(NCCCF)c2ccccc2 2230a_100000736602_100011934791 [0,1,0,0,0,0|3,0,0]=4 656 B20R2.2501 Cc1ccc(cc1)C(NCCCF)c2ccccc2 270004a_100015189416_100000210966 [0,1,0,0,0,0|3,0,0]=4 657 B20R2.2501 Cc1ccc(cc1)C(NCCCF)c2ccccc2 34a_100000736602_100011934791 [0,1,0,0,0,0|3,0,0]=4 658 B20R2.2501 Cc1ccc(cc1)C(NCCCO)c2ccccc2 2230a_100000736602_100000230001 [0,1,0,0,0,0|3,0,0]=4 659 B20R2.2501 Cc1ccc(cc1)C(NCCCO)c2ccccc2 270004a_100000182051_100000210966 [0,1,0,0,0,0|3,0,0]=4 660 B20R2.2501 Cc1ccc(cc1)C(NCCCO)c2ccccc2 34a_100000736602_100000230001 [0,1,0,0,0,0|3,0,0]=4 661 B20R2.2501 Cc1ccc(cc1)C(OCCC#N)c2ccccc2 7a_100000212064_100000184422 [0,1,0,0,0,0|2,0,0]=3 662 B20R2.2501 Cc1ccc(cc1)C(OCCCF)c2ccccc2 34a_100000212064_100011934791 [0,1,0,0,0,0|2,0,0]=3 663 B20R2.2501 Cc1ccc(cc1)C(OCCCF)c2ccccc2 7a_100000212064_100011934791 [0,1,0,0,0,0|2,0,0]=3 664 B20R2.2501 Cc1ccc(cc1)C(OCCCO)c2ccccc2 34a_100000212064_100000230001 [0,1,0,0,0,0|2,0,0]=3 665 B20R2.2501 Cc1ccc(cc1)C(OCCCO)c2ccccc2 7a_100000212064_100011215043 [0,1,0,0,0,0|2,0,0]=3 666 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011934791 [0,1,0,0,0,0|3,0,0]=4 667 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100015189416_100000718703 [0,1,0,0,0,0|3,0,0]=4 668 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011934791 [0,1,0,0,0,0|3,0,0]=4 669 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011934791 [0,1,0,0,0,0|3,0,0]=4 670 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100015189416_100000211669 [0,1,0,0,0,0|3,0,0]=4 671 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100015189416_100000211064 [0,1,0,0,0,0|3,0,0]=4 672 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011934791 [0,1,0,0,0,0|3,0,0]=4 673 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011934791 [0,1,0,0,0,0|3,0,0]=4 674 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100015189416_100000210425 [0,1,0,0,0,0|3,0,0]=4 675 B20R2.2501 FCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011934791 [0,1,0,0,0,0|3,0,0]=4 676 B20R2.2501 FCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011934791 [0,1,0,0,0,0|3,0,0]=4 677 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011934791 [0,1,0,0,0,0|2,0,0]=3 678 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011934791 [0,1,0,0,0,0|2,0,0]=3 679 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011934791 [0,1,0,0,0,0|2,0,0]=3 680 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011934791 [0,1,0,0,0,0|2,0,0]=3 681 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011934791 [0,1,0,0,0,0|2,0,0]=3 682 B20R2.2501 FCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011934791 [0,1,0,0,0,0|2,0,0]=3 683 B20R2.2501 FCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011934791 [0,1,0,0,0,0|3,0,0]=4 684 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011215226 [0,1,0,0,0,0|3,0,0]=4 685 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000720768_100000718703 [0,1,0,0,0,0|3,0,0]=4 686 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011215226 [0,1,0,0,0,0|3,0,0]=4 687 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000720768_100000211064 [0,1,0,0,0,0|3,0,0]=4 688 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011215226 [0,1,0,0,0,0|3,0,0]=4 689 B20R2.2501 N#CCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000720768_100000210425 [0,1,0,0,0,0|3,0,0]=4 690 B20R2.2501 N#CCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000184422 [0,1,0,0,0,0|2,0,0]=3 691 B20R2.2501 N#CCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000184422 [0,1,0,0,0,0|2,0,0]=3 692 B20R2.2501 N#CCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000184422 [0,1,0,0,0,0|2,0,0]=3 693 B20R2.2501 N#CCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000184422 [0,1,0,0,0,0|2,0,0]=3 694 B20R2.2501 Nc1ccc(cc1)C(OCCCF)c2ccccc2 34a_100011236343_100011934791 [0,1,0,0,0,0|2,0,0]=3 695 B20R2.2501 Nc1ccc(cc1)C(OCCCF)c2ccccc2 7a_100011236343_100011934791 [0,1,0,0,0,0|2,0,0]=3 696 B20R2.2501 Nc1ccc(cc1)C(OCCCO)c2ccccc2 34a_100011236343_100000230001 [0,1,0,0,0,0|2,0,0]=3 697 B20R2.2501 Nc1ccc(cc1)C(OCCCO)c2ccccc2 7a_100011236343_100011215043 [0,1,0,0,0,0|2,0,0]=3 698 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000230001 [0,1,0,0,0,0|3,0,0]=4 699 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000182051_100000718703 [0,1,0,0,0,0|3,0,0]=4 700 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000230001 [0,1,0,0,0,0|3,0,0]=4 701 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000230001 [0,1,0,0,0,0|3,0,0]=4 702 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000182051_100000211064 [0,1,0,0,0,0|3,0,0]=4 703 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000230001 [0,1,0,0,0,0|3,0,0]=4 704 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000230001 [0,1,0,0,0,0|3,0,0]=4 705 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000182051_100000210425 [0,1,0,0,0,0|3,0,0]=4 706 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000230001 [0,1,0,0,0,0|3,0,0]=4 707 B20R2.2501 OCCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000230001 [0,1,0,0,0,0|3,0,0]=4 708 B20R2.2501 OCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000230001 [0,1,0,0,0,0|3,0,0]=4 709 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000230001 [0,1,0,0,0,0|2,0,0]=3 710 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011215043 [0,1,0,0,0,0|2,0,0]=3 711 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000230001 [0,1,0,0,0,0|2,0,0]=3 712 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011215043 [0,1,0,0,0,0|2,0,0]=3 713 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000230001 [0,1,0,0,0,0|2,0,0]=3 714 B20R2.2501 OCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011215043 [0,1,0,0,0,0|2,0,0]=3 715 B20R2.2501 OCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000230001 [0,1,0,0,0,0|3,0,0]=4 716 B20R2.2501 OCCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100011215043 [0,1,0,0,0,0|2,1,0]=4 717 B20R2.2501 OCCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100011215043_100000211669 [0,1,0,0,0,0|2,1,0]=4 718 B20R2.2501 Oc1ccc(cc1)C(NCCCF)c2ccccc2 34a_100000198503_100011934791 [0,1,0,0,0,0|3,0,0]=4 719 B20R2.4159 BrCCOCCC(c1ccccc1)c2ccccc2 34a_100000211926_100009813428 [0,1,0,0,0,0|3,0,0]=4 720 B20R2.4159 C#CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000731252 [0,1,0,0,0,0|2,0,1]=4 721 B20R2.4159 C#CCCCNC(c1ccccc1)c2ccccc2 270004a_100000718082_100000210122 [0,1,0,0,0,0|2,0,1]=4 722 B20R2.4159 C#CCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000695029 [0,1,0,0,0,0|2,0,1]=4 723 B20R2.4159 C#CCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000695029 [0,1,0,0,0,0|1,0,1]=3 724 B20R2.4159 C#CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215417 [0,1,0,0,0,0|1,0,1]=3 725 B20R2.4159 C#CCCCOC(c1ccccc1)c2ccccc2 7a_100000215630_100011216954 [0,1,0,0,0,0|1,0,1]=3 726 B20R2.4159 C#CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215417 [0,1,0,0,0,0|2,0,1]=4 727 B20R2.4159 C#CCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215417 [0,1,0,0,0,0|1,1,1]=4 728 B20R2.4159 C#CCCCSC(c1ccccc1)c2ccccc2 62a_100011215417_100011216954 [0,1,0,0,0,0|1,1,1]=4 729 B20R2.4159 C#CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000688953 [0,1,0,0,0,0|2,0,1]=4 730 B20R2.4159 C#CCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000688953 [0,1,0,0,0,0|2,0,1]=4 731 B20R2.4159 C#CCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000688953 [0,1,0,0,0,0|1,0,1]=3 732 B20R2.4159 C#CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000688953 [0,1,0,0,0,0|1,0,1]=3 733 B20R2.4159 C#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000038162 [0,1,0,0,0,0|2,0,1]=4 734 B20R2.4159 C#CCNCCC(c1ccccc1)c2ccccc2 34a_100000212058_100009813428 [0,1,0,0,0,0|2,0,1]=4 735 B20R2.4159 C#CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000184674 [0,1,0,0,0,0|2,0,1]=4 736 B20R2.4159 C#CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000184674 [0,1,0,0,0,0|2,0,1]=4 737 B20R2.4159 C#CCOCCC(c1ccccc1)c2ccccc2 34a_100000210247_100009813428 [0,1,0,0,0,0|2,0,1]=4 738 B20R2.4159 C#CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000038162 [0,1,0,0,0,0|2,0,1]=4 739 B20R2.4159 C#CCSCCC(c1ccccc1)c2ccccc2 62a_100000038162_100009813428 [0,1,0,0,0,0|2,0,1]=4 740 B20R2.4159 C/C=C/CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100102629194 [0,1,0,0,0,0|2,0,1]=4 741 B20R2.4159 C/C=C/COCC(c1ccccc1)c2ccccc2 34a_100011215272_100102629194 [0,1,0,0,0,0|1,0,1]=3 742 B20R2.4159 C/C=C/COCC(c1ccccc1)c2ccccc2 7a_100011215272_100102629194 [0,1,0,0,0,0|1,0,1]=3 743 B20R2.4159 C=CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011713584 [0,1,0,0,0,0|2,0,1]=4 744 B20R2.4159 C=CCCCNC(c1ccccc1)c2ccccc2 2230a_100000700776_100000211591 [0,1,0,0,0,0|2,0,1]=4 745 B20R2.4159 C=CCCCNC(c1ccccc1)c2ccccc2 270004a_100000700776_100000210122 [0,1,0,0,0,0|2,0,1]=4 746 B20R2.4159 C=CCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000757094 [0,1,0,0,0,0|2,0,1]=4 747 B20R2.4159 C=CCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000757094 [0,1,0,0,0,0|1,0,1]=3 748 B20R2.4159 C=CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000757094 [0,1,0,0,0,0|1,0,1]=3 749 B20R2.4159 C=CCCCOC(c1ccccc1)c2ccccc2 7a_100000758997_100011216954 [0,1,0,0,0,0|1,0,1]=3 750 B20R2.4159 C=CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000757094 [0,1,0,0,0,0|2,0,1]=4 751 B20R2.4159 C=CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000754431 [0,1,0,0,0,0|2,0,1]=4 752 B20R2.4159 C=CCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000754431 [0,1,0,0,0,0|2,0,1]=4 753 B20R2.4159 C=CCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000754431 [0,1,0,0,0,0|1,0,1]=3 754 B20R2.4159 C=CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000754431 [0,1,0,0,0,0|1,0,1]=3 755 B20R2.4159 C=CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210623 [0,1,0,0,0,0|2,0,1]=4 756 B20R2.4159 C=CCNCCC(c1ccccc1)c2ccccc2 2230a_100020586998_100009813428 [0,1,0,0,0,0|2,0,1]=4 757 B20R2.4159 C=CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100015514636 [0,1,0,0,0,0|2,0,1]=4 758 B20R2.4159 C=CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100015514636 [0,1,0,0,0,0|2,0,1]=4 759 B20R2.4159 C=CCOCCC(c1ccccc1)c2ccccc2 34a_200000210373_100009813428 [0,1,0,0,0,0|2,0,1]=4 760 B20R2.4159 C=CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100015514636 [0,1,0,0,0,0|2,0,1]=4 761 B20R2.4159 C=COCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000039644 [0,1,0,0,0,0|2,0,1]=4 762 B20R2.4159 C=COCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000039644 [0,1,0,0,0,0|2,0,1]=4 763 B20R2.4159 C=COCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000039644 [0,1,0,0,0,0|1,0,1]=3 764 B20R2.4159 C=COCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000039644 [0,1,0,0,0,0|1,0,1]=3 765 B20R2.4159 C=COCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000039644 [0,1,0,0,0,0|2,0,1]=4 766 B20R2.4159 C=COCCSC(c1ccccc1)c2ccccc2 62a_100000039644_100011216954 [0,1,0,0,0,0|1,1,1]=4 767 B20R2.4159 C=COCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000039644 [0,1,0,0,0,0|1,1,1]=4 768 B20R2.4159 CC#CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748600 [0,1,0,0,0,0|2,0,1]=4 769 B20R2.4159 CC#CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748600 [0,1,0,0,0,0|2,0,1]=4 770 B20R2.4159 CC#CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748600 [0,1,0,0,0,0|1,0,1]=3 771 B20R2.4159 CC#CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748600 [0,1,0,0,0,0|1,0,1]=3 772 B20R2.4159 CC/C=C\CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100103147603 [0,1,0,0,0,0|2,0,1]=4 773 B20R2.4159 CC/C=C\CNC(c1ccccc1)c2ccccc2 34a_100000162943_100103147603 [0,1,0,0,0,0|2,0,1]=4 774 B20R2.4159 CC/C=C\COC(c1ccccc1)c2ccccc2 34a_100000211180_100103147603 [0,1,0,0,0,0|1,0,1]=3 775 B20R2.4159 CC/C=C\COC(c1ccccc1)c2ccccc2 7a_100000211180_100103147603 [0,1,0,0,0,0|1,0,1]=3 776 B20R2.4159 CC/C=C\COC(c1ccccc1)c2ccccn2 7a_100000180852_100103147603 [0,1,0,0,0,0|2,0,1]=4 777 B20R2.4159 CC=CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000070051 [0,1,0,0,0,0|2,0,1]=4 778 B20R2.4159 CC=CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000070051 [0,1,0,0,0,0|2,0,1]=4 779 B20R2.4159 CC=CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000070051 [0,1,0,0,0,0|1,0,1]=3 780 B20R2.4159 CC=CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000070051 [0,1,0,0,0,0|1,0,1]=3 781 B20R2.4159 CCC#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009813939 [0,1,0,0,0,0|2,0,1]=4 782 B20R2.4159 CCC#CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100009813939 [0,1,0,0,0,0|2,0,1]=4 783 B20R2.4159 CCC#CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100009813939 [0,1,0,0,0,0|1,0,1]=3 784 B20R2.4159 CCC#CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100009813939 [0,1,0,0,0,0|1,0,1]=3 785 B20R2.4159 CCC#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100009813939 [0,1,0,0,0,0|2,0,1]=4 786 B20R2.4159 CCC#CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100009813939 [0,1,0,0,0,0|1,1,1]=4 787 B20R2.4159 CCC#CCSC(c1ccccc1)c2ccccc2 62a_100009813939_100011216954 [0,1,0,0,0,0|1,1,1]=4 788 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210326 [0,1,0,0,0,0|2,0,0]=3 789 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000209983_100000211591 [0,1,0,0,0,0|2,0,0]=3 790 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccc2 270004a_100000209983_100000210122 [0,1,0,0,0,0|2,0,0]=3 791 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000718602 [0,1,0,0,0,0|2,0,0]=3 792 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210326 [0,1,0,0,0,0|3,0,0]=4 793 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccn2 270004a_100000209983_100000210380 [0,1,0,0,0,0|3,0,0]=4 794 B20R2.4159 CCCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210326 [0,1,0,0,0,0|3,0,0]=4 795 B20R2.4159 CCCCCNC(c1ccccc1)c2cccnc2 270004a_100000209983_100000735413 [0,1,0,0,0,0|3,0,0]=4 796 B20R2.4159 CCCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210326 [0,1,0,0,0,0|3,0,0]=4 797 B20R2.4159 CCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000718602 [0,1,0,0,0,0|1,0,0]=2 798 B20R2.4159 CCCCCOC(c1ccccc1)c2ccccc2 7a_100000210253_100011216954 [0,1,0,0,0,0|1,0,0]=2 799 B20R2.4159 CCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210326 [0,1,0,0,0,0|1,0,0]=2 800 B20R2.4159 CCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210326 [0,1,0,0,0,0|2,0,0]=3 801 B20R2.4159 CCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210211 [0,1,0,0,0,0|2,0,0]=3 802 B20R2.4159 CCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210210 [0,1,0,0,0,0|2,0,0]=3 803 B20R2.4159 CCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210210 [0,1,0,0,0,0|1,0,0]=2 804 B20R2.4159 CCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210211 [0,1,0,0,0,0|1,0,0]=2 805 B20R2.4159 CCCNCC=C(c1ccccc1)c2ccccc2 270004a_100020643023_100000050448 [0,1,0,0,0,0|2,0,1]=4 806 B20R2.4159 CCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210303 [0,1,0,0,0,0|2,0,0]=3 807 B20R2.4159 CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210303 [0,1,0,0,0,0|2,0,0]=3 808 B20R2.4159 CCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210303 [0,1,0,0,0,0|3,0,0]=4 809 B20R2.4159 CCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210303 [0,1,0,0,0,0|3,0,0]=4 810 B20R2.4159 CCCNN=CC(c1ccccc1)c2ccccc2 4a_100000740057_100000183636 [0,1,0,0,0,0|3,0,0]=4 811 B20R2.4159 CCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210303 [0,1,0,0,0,0|2,0,0]=3 812 B20R2.4159 CCCOCCC(c1ccccc1)c2ccccc2 34a_100000210258_100009813428 [0,1,0,0,0,0|2,0,0]=3 813 B20R2.4159 CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210303 [0,1,0,0,0,0|2,0,0]=3 814 B20R2.4159 CCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210303 [0,1,0,0,0,0|3,0,0]=4 815 B20R2.4159 CCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210303 [0,1,0,0,0,0|3,0,0]=4 816 B20R2.4159 CCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000210303_100010140906 [0,1,0,0,0,0|3,0,0]=4 817 B20R2.4159 CCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000210303 [0,1,0,0,0,0|3,0,0]=4 818 B20R2.4159 CCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210202 [0,1,0,0,0,0|2,0,0]=3 819 B20R2.4159 CCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210202 [0,1,0,0,0,0|2,0,0]=3 820 B20R2.4159 CCNCCOC(c1ccccc1)c2ccccc2 2230a_100015525214_100000734929 [0,1,0,0,0,0|0,0,0]=1 821 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215890 [0,1,0,0,0,0|2,0,0]=3 822 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccc2 2230a_102516460346_100000211591 [0,1,0,0,0,0|2,0,0]=3 823 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccc2 270004a_102516460346_100000210122 [0,1,0,0,0,0|2,0,0]=3 824 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210147 [0,1,0,0,0,0|2,0,0]=3 825 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215890 [0,1,0,0,0,0|3,0,0]=4 826 B20R2.4159 CCOCCNC(c1ccccc1)c2ccccn2 270004a_102516460346_100000210380 [0,1,0,0,0,0|3,0,0]=4 827 B20R2.4159 CCOCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011215890 [0,1,0,0,0,0|3,0,0]=4 828 B20R2.4159 CCOCCNC(c1ccccc1)c2cccnc2 270004a_102516460346_100000735413 [0,1,0,0,0,0|3,0,0]=4 829 B20R2.4159 CCOCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011215890 [0,1,0,0,0,0|3,0,0]=4 830 B20R2.4159 CCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210147 [0,1,0,0,0,0|1,0,0]=2 831 B20R2.4159 CCOCCOC(c1ccccc1)c2ccccc2 34a_100121572206_100000734929 [0,1,0,0,0,0|1,0,0]=2 832 B20R2.4159 CCOCCOC(c1ccccc1)c2ccccc2 7a_100000210136_100011216954 [0,1,0,0,0,0|1,0,0]=2 833 B20R2.4159 CCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215890 [0,1,0,0,0,0|1,0,0]=2 834 B20R2.4159 CCOCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215890 [0,1,0,0,0,0|2,0,0]=3 835 B20R2.4159 CCOCCSC(c1ccccc1)c2ccccc2 62a_100000210147_100011216954 [0,1,0,0,0,0|1,1,0]=3 836 B20R2.4159 CCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215890 [0,1,0,0,0,0|1,1,0]=3 837 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccc2 2230a_100000106463_100000211591 [0,1,0,0,0,0|2,0,0]=3 838 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000757381 [0,1,0,0,0,0|2,0,0]=3 839 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccc2 270004a_100000106463_100000210122 [0,1,0,0,0,0|2,0,0]=3 840 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000757381 [0,1,0,0,0,0|2,0,0]=3 841 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000757381 [0,1,0,0,0,0|3,0,0]=4 842 B20R2.4159 CCSCCNC(c1ccccc1)c2ccccn2 270004a_100000106463_100000210380 [0,1,0,0,0,0|3,0,0]=4 843 B20R2.4159 CCSCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000757381 [0,1,0,0,0,0|3,0,0]=4 844 B20R2.4159 CCSCCNC(c1ccccc1)c2cccnc2 270004a_100000106463_100000735413 [0,1,0,0,0,0|3,0,0]=4 845 B20R2.4159 CCSCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000757381 [0,1,0,0,0,0|3,0,0]=4 846 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000757381 [0,1,0,0,0,0|1,0,0]=2 847 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccc2 62a_100000210202_100000734929 [0,1,0,0,0,0|1,0,0]=2 848 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210202 [0,1,0,0,0,0|1,0,0]=2 849 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000757381 [0,1,0,0,0,0|1,0,0]=2 850 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccc2 7a_100000212035_100011216954 [0,1,0,0,0,0|1,0,0]=2 851 B20R2.4159 CCSCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000757381 [0,1,0,0,0,0|2,0,0]=3 852 B20R2.4159 COCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000740836 [0,1,0,0,0,0|2,0,0]=3 853 B20R2.4159 COCCCNC(c1ccccc1)c2ccccc2 270004a_100150723488_100000210122 [0,1,0,0,0,0|2,0,0]=3 854 B20R2.4159 COCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000740836 [0,1,0,0,0,0|2,0,0]=3 855 B20R2.4159 COCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000740836 [0,1,0,0,0,0|3,0,0]=4 856 B20R2.4159 COCCCNC(c1ccccc1)c2ccccn2 270004a_100150723488_100000210380 [0,1,0,0,0,0|3,0,0]=4 857 B20R2.4159 COCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000740836 [0,1,0,0,0,0|3,0,0]=4 858 B20R2.4159 COCCCNC(c1ccccc1)c2cccnc2 270004a_100150723488_100000735413 [0,1,0,0,0,0|3,0,0]=4 859 B20R2.4159 COCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000740836 [0,1,0,0,0,0|3,0,0]=4 860 B20R2.4159 COCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000740836 [0,1,0,0,0,0|1,0,0]=2 861 B20R2.4159 COCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000740836 [0,1,0,0,0,0|1,0,0]=2 862 B20R2.4159 COCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000740836 [0,1,0,0,0,0|2,0,0]=3 863 B20R2.4159 COCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000709357 [0,1,0,0,0,0|1,1,0]=3 864 B20R2.4159 COCCCSC(c1ccccc1)c2ccccc2 62a_100000709357_100011216954 [0,1,0,0,0,0|1,1,0]=3 865 B20R2.4159 COCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011201679 [0,1,0,0,0,0|2,0,0]=3 866 B20R2.4159 COCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011201679 [0,1,0,0,0,0|2,0,0]=3 867 B20R2.4159 COCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011201679 [0,1,0,0,0,0|1,0,0]=2 868 B20R2.4159 COCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000233755 [0,1,0,0,0,0|1,0,0]=2 869 B20R2.4159 COCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000766300 [0,1,0,0,0,0|2,0,0]=3 870 B20R2.4159 COCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000766300 [0,1,0,0,0,0|3,0,0]=4 871 B20R2.4159 COCSCCC(c1ccccc1)c2ccccc2 62a_100000766300_100009813428 [0,1,0,0,0,0|2,0,0]=3 872 B20R2.4159 COCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000766300 [0,1,0,0,0,0|2,0,0]=3 873 B20R2.4159 COCSCC[S+](c1ccccc1)c2ccccc2 62a_100000766300_100010140906 [0,1,0,0,0,0|3,0,0]=4 874 B20R2.4159 COCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000766300 [0,1,0,0,0,0|3,0,0]=4 875 B20R2.4159 CSCCCNC(c1ccccc1)c2ccccc2 2230a_100000749238_100000211591 [0,1,0,0,0,0|2,0,0]=3 876 B20R2.4159 CSCCCNC(c1ccccc1)c2ccccc2 270004a_100000749238_100000210122 [0,1,0,0,0,0|2,0,0]=3 877 B20R2.4159 CSCCCNC(c1ccccc1)c2ccccn2 270004a_100000749238_100000210380 [0,1,0,0,0,0|3,0,0]=4 878 B20R2.4159 CSCCCNC(c1ccccc1)c2cccnc2 270004a_100000749238_100000735413 [0,1,0,0,0,0|3,0,0]=4 879 B20R2.4159 CSCCCOC(c1ccccc1)c2ccccc2 7a_100000690336_100011216954 [0,1,0,0,0,0|1,0,0]=2 880 B20R2.4159 CSCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000751147 [0,1,0,0,0,0|2,0,0]=3 881 B20R2.4159 CSCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000212216 [0,1,0,0,0,0|2,0,0]=3 882 B20R2.4159 CSCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000212216 [0,1,0,0,0,0|1,0,0]=2 883 B20R2.4159 CSCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000212216 [0,1,0,0,0,0|1,0,0]=2 884 B20R2.4159 CSCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011218213 [0,1,0,0,0,0|2,0,0]=3 885 B20R2.4159 CSCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011218213 [0,1,0,0,0,0|2,0,0]=3 886 B20R2.4159 CSCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011218213 [0,1,0,0,0,0|3,0,0]=4 887 B20R2.4159 CSCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011218213 [0,1,0,0,0,0|3,0,0]=4 888 B20R2.4159 CSCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011218213 [0,1,0,0,0,0|2,0,0]=3 889 B20R2.4159 CSCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011218213 [0,1,0,0,0,0|3,0,0]=4 890 B20R2.4159 CSCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100011218213 [0,1,0,0,0,0|3,0,0]=4 891 B20R2.4159 CSCSCC[S+](c1ccccc1)c2ccccc2 62a_100011218213_100010140906 [0,1,0,0,0,0|3,0,0]=4 892 B20R2.4159 ClCCCCOC(c1ccccc1)c2ccccc2 7a_100000210776_100011216954 [0,1,0,0,0,0|1,0,0]=2 893 B20R2.4159 FCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000729493 [0,1,0,0,0,0|2,0,0]=3 894 B20R2.4159 FCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000729493 [0,1,0,0,0,0|2,0,0]=3 895 B20R2.4159 FCCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000729493 [0,1,0,0,0,0|3,0,0]=4 896 B20R2.4159 FCCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000729493 [0,1,0,0,0,0|3,0,0]=4 897 B20R2.4159 FCCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000729493 [0,1,0,0,0,0|3,0,0]=4 898 B20R2.4159 FCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000729493 [0,1,0,0,0,0|1,0,0]=2 899 B20R2.4159 FCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000729493 [0,1,0,0,0,0|1,0,0]=2 900 B20R2.4159 FCCCCOC(c1ccccc1)c2ccccc2 7a_100011995726_100011216954 [0,1,0,0,0,0|1,0,0]=2 901 B20R2.4159 FCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000729493 [0,1,0,0,0,0|2,0,0]=3 902 B20R2.4159 FCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011934791 [0,1,0,0,0,0|3,0,0]=4 903 B20R2.4159 FCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011934791 [0,1,0,0,0,0|3,0,0]=4 904 B20R2.4159 FCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011934791 [0,1,0,0,0,0|2,0,0]=3 905 B20R2.4159 FCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011934791 [0,1,0,0,0,0|2,0,0]=3 906 B20R2.4159 FCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011217306 [0,1,0,0,0,0|3,0,0]=4 907 B20R2.4159 FCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011217306 [0,1,0,0,0,0|3,0,0]=4 908 B20R2.4159 FCCNCCC(c1ccccc1)c2ccccc2 34a_100000724931_100009813428 [0,1,0,0,0,0|3,0,0]=4 909 B20R2.4159 FCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011217306 [0,1,0,0,0,0|3,0,0]=4 910 B20R2.4159 FCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011217306 [0,1,0,0,0,0|3,0,0]=4 911 B20R2.4159 FCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011217306 [0,1,0,0,0,0|3,0,0]=4 912 B20R2.4159 FCCSCCC(c1ccccc1)c2ccccc2 62a_100011217306_100009813428 [0,1,0,0,0,0|3,0,0]=4 913 B20R2.4159 FCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100015361967 [0,1,0,0,0,0|2,0,0]=3 914 B20R2.4159 FCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100015361967 [0,1,0,0,0,0|1,0,0]=2 915 B20R2.4159 FCSCCOC(c1ccccc1)c2ccccc2 62a_100015361967_100000734929 [0,1,0,0,0,0|1,0,0]=2 916 B20R2.4159 N#CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000687738 [0,1,0,0,0,0|2,0,1]=4 917 B20R2.4159 N#CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000687738 [0,1,0,0,0,0|1,0,1]=3 918 B20R2.4159 N#CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000687738 [0,1,0,0,0,0|2,0,1]=4 919 B20R2.4159 N#CCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000687738 [0,1,0,0,0,0|1,1,1]=4 920 B20R2.4159 N#CCCCSC(c1ccccc1)c2ccccc2 62a_100000687738_100011216954 [0,1,0,0,0,0|1,1,1]=4 921 B20R2.4159 N#CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011215226 [0,1,0,0,0,0|3,0,0]=4 922 B20R2.4159 N#CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000184422 [0,1,0,0,0,0|2,0,0]=3 923 B20R2.4159 N#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011215382 [0,1,0,0,0,0|3,0,0]=4 924 B20R2.4159 N#CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215382 [0,1,0,0,0,0|3,0,0]=4 925 B20R2.4159 N#CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215382 [0,1,0,0,0,0|3,0,0]=4 926 B20R2.4159 N#CCSCCC(c1ccccc1)c2ccccc2 62a_100011215382_100009813428 [0,1,0,0,0,0|3,0,0]=4 927 B20R2.4159 N#CSCCSC(c1ccccc1)c2ccccc2 62a_100000034367_100011216954 [0,1,0,0,0,0|1,1,1]=4 928 B20R2.4159 N#CSCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000034367 [0,1,0,0,0,0|1,1,1]=4 929 B20R2.4159 NCCOCCC(c1ccccc1)c2ccccc2 34a_100000210304_100009813428 [0,1,0,0,0,0|3,0,0]=4 930 B20R2.4159 O=CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200011292268 [0,1,0,0,0,0|2,0,1]=4 931 B20R2.4159 O=CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_200011292268 [0,1,0,0,0,0|1,0,1]=3 932 B20R2.4159 O=CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_200011292268 [0,1,0,0,0,0|2,0,1]=4 933 B20R2.4159 O=CCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_200011292268 [0,1,0,0,0,0|1,1,1]=4 934 B20R2.4159 O=CCCCSC(c1ccccc1)c2ccccc2 62a_200011292268_100011216954 [0,1,0,0,0,0|1,1,1]=4 935 B20R2.4159 O=CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200015260668 [0,1,0,0,0,0|3,0,0]=4 936 B20R2.4159 O=CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200009817547 [0,1,0,0,0,0|3,0,0]=4 937 B20R2.4159 O=CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_200009817547 [0,1,0,0,0,0|3,0,0]=4 938 B20R2.4159 O=CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_200015260668 [0,1,0,0,0,0|3,0,0]=4 939 B20R2.4159 O=CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_200015260668 [0,1,0,0,0,0|3,0,0]=4 940 B20R2.4159 O=CCSCCC(c1ccccc1)c2ccccc2 62a_200015260668_100009813428 [0,1,0,0,0,0|3,0,0]=4 941 B20R2.4159 OCC#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000047223 [0,1,0,0,0,0|2,0,1]=4 942 B20R2.4159 OCC#CCNC(c1ccccc1)c2ccccc2 34a_100000162943_200000047223 [0,1,0,0,0,0|2,0,1]=4 943 B20R2.4159 OCC#CCOC(c1ccccc1)c2ccccc2 34a_100000211180_200000047223 [0,1,0,0,0,0|1,0,1]=3 944 B20R2.4159 OCC#CCOC(c1ccccc1)c2ccccc2 7a_100000211180_200000047223 [0,1,0,0,0,0|1,0,1]=3 945 B20R2.4159 OCC#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000047223 [0,1,0,0,0,0|2,0,1]=4 946 B20R2.4159 OCC#CCSC(c1ccccc1)c2ccccc2 62a_100000211591_200000047223 [0,1,0,0,0,0|1,1,1]=4 947 B20R2.4159 OCC#CCSC(c1ccccc1)c2ccccc2 62a_200000047223_100011216954 [0,1,0,0,0,0|1,1,1]=4 948 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210776 [0,1,0,0,0,0|2,0,0]=3 949 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccc2 2230a_100000750430_100000211591 [0,1,0,0,0,0|2,0,0]=3 950 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccc2 270004a_100000750430_100000210122 [0,1,0,0,0,0|2,0,0]=3 951 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011216708 [0,1,0,0,0,0|2,0,0]=3 952 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210776 [0,1,0,0,0,0|3,0,0]=4 953 B20R2.4159 OCCCCNC(c1ccccc1)c2ccccn2 270004a_100000750430_100000210380 [0,1,0,0,0,0|3,0,0]=4 954 B20R2.4159 OCCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210776 [0,1,0,0,0,0|3,0,0]=4 955 B20R2.4159 OCCCCNC(c1ccccc1)c2cccnc2 270004a_100000750430_100000735413 [0,1,0,0,0,0|3,0,0]=4 956 B20R2.4159 OCCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210776 [0,1,0,0,0,0|3,0,0]=4 957 B20R2.4159 OCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011216708 [0,1,0,0,0,0|1,0,0]=2 958 B20R2.4159 OCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210776 [0,1,0,0,0,0|1,0,0]=2 959 B20R2.4159 OCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210776 [0,1,0,0,0,0|2,0,0]=3 960 B20R2.4159 OCCCCSC(c1ccccc1)c2ccccc2 62a_100000210776_100011216954 [0,1,0,0,0,0|1,1,0]=3 961 B20R2.4159 OCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210776 [0,1,0,0,0,0|1,1,0]=3 962 B20R2.4159 OCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000230001 [0,1,0,0,0,0|3,0,0]=4 963 B20R2.4159 OCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000230001 [0,1,0,0,0,0|3,0,0]=4 964 B20R2.4159 OCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000230001 [0,1,0,0,0,0|2,0,0]=3 965 B20R2.4159 OCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215043 [0,1,0,0,0,0|2,0,0]=3 966 B20R2.4159 OCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000211926 [0,1,0,0,0,0|3,0,0]=4 967 B20R2.4159 OCCNCCC(c1ccccc1)c2ccccc2 2230a_100016997473_100009813428 [0,1,0,0,0,0|3,0,0]=4 968 B20R2.4159 OCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000211926 [0,1,0,0,0,0|3,0,0]=4 969 B20R2.4159 OCCNCCC(c1ccccc1)c2ccccc2 34a_100016990907_100009813428 [0,1,0,0,0,0|3,0,0]=4 970 B20R2.4159 OCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000211926 [0,1,0,0,0,0|3,0,0]=4 971 B20R2.4159 OCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000211926 [0,1,0,0,0,0|3,0,0]=4 972 B20R2.4159 OCCSCCC(c1ccccc1)c2ccccc2 62a_100000211926_100009813428 [0,1,0,0,0,0|3,0,0]=4 973 B20R2.4159 OCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000211926 [0,1,0,0,0,0|3,0,0]=4 974 B20R2.4986 C#CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000753159 [0,1,0,0,0,0|2,0,1]=4 975 B20R2.4986 C#CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000692101_100011216954 [0,1,0,0,0,0|2,0,1]=4 976 B20R2.4986 C#CCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000688953 [0,1,0,0,0,0|2,0,1]=4 977 B20R2.4986 C#CCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000730999 [0,1,0,0,0,0|2,0,1]=4 978 B20R2.4986 C/C=C/CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100102629194 [0,1,0,0,0,0|2,0,1]=4 979 B20R2.4986 C/C=C/CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100102629194 [0,1,0,0,0,0|2,0,1]=4 980 B20R2.4986 C=CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000754431 [0,1,0,0,0,0|2,0,1]=4 981 B20R2.4986 C=CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000749702_100011216954 [0,1,0,0,0,0|2,0,1]=4 982 B20R2.4986 C=CCCN(C)C(c1ccccc1)c2ccccc2 2230a_100020639649_100000211591 [0,1,0,0,0,0|2,0,1]=4 983 B20R2.4986 C=CCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000754431 [0,1,0,0,0,0|2,0,1]=4 984 B20R2.4986 C=CCCN(C)C(c1ccccc1)c2ccccc2 269982a_100020639649_100000211591 [0,1,0,0,0,0|2,0,1]=4 985 B20R2.4986 C=CCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000754431 [0,1,0,0,0,0|2,0,1]=4 986 B20R2.4986 C=CCCN(C)C(c1ccccc1)c2ccccc2 270004a_100020639649_100000210122 [0,1,0,0,0,0|2,0,1]=4 987 B20R2.4986 CC#CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000748600 [0,1,0,0,0,0|2,0,1]=4 988 B20R2.4986 CC#CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000748600 [0,1,0,0,0,0|2,0,1]=4 989 B20R2.4986 CC=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000070051 [0,1,0,0,0,0|2,0,1]=4 990 B20R2.4986 CC=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100121576822_100011216954 [0,1,0,0,0,0|2,0,1]=4 991 B20R2.4986 CC=CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000070051 [0,1,0,0,0,0|2,0,1]=4 992 B20R2.4986 CCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210183_100011216954 [0,1,0,0,0,0|2,0,0]=3 993 B20R2.4986 CCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210211 [0,1,0,0,0,0|2,0,0]=3 994 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000207549_100000211591 [0,1,0,0,0,0|2,0,0]=3 995 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210211 [0,1,0,0,0,0|2,0,0]=3 996 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000207549_100000211591 [0,1,0,0,0,0|2,0,0]=3 997 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210211 [0,1,0,0,0,0|2,0,0]=3 998 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000207549_100000210122 [0,1,0,0,0,0|2,0,0]=3 999 B20R2.4986 CCCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000207549_100000210380 [0,1,0,0,0,0|3,0,0]=4 1000 B20R2.4986 CCCCN(C)C(c1ccccc1)c2cccnc2 270004a_100000207549_100000735413 [0,1,0,0,0,0|3,0,0]=4 1001 B20R2.4986 CCCNC(=O)C(c1ccccc1)c2ccccc2 11a_100020643023_100000210944 [0,1,0,0,0,0|3,0,0]=4 1002 B20R2.4986 CCCNC(=O)C(c1ccccc1)c2ccccc2 1626a_100020643023_100000210944 [0,1,0,0,0,0|3,0,0]=4 1003 B20R2.4986 CCCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100020643023_100000210944 [0,1,0,0,0,0|3,0,0]=4 1004 B20R2.4986 CCCNC(=O)C(c1ccccc1)c2ccccc2 527a_100020643023_100000210944 [0,1,0,0,0,0|3,0,0]=4 1005 B20R2.4986 CCOCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000211967_100011216954 [0,1,0,0,0,0|3,0,0]=4 1006 B20R2.4986 CCOCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000739092 [0,1,0,0,0,0|3,0,0]=4 1007 B20R2.4986 CCSCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000230394_100011216954 [0,1,0,0,0,0|3,0,0]=4 1008 B20R2.4986 CN(CCC#N)C(c1ccccc1)c2ccccc2 2230a_100000184479_100000211591 [0,1,0,0,0,0|3,0,0]=4 1009 B20R2.4986 CN(CCC#N)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011215226 [0,1,0,0,0,0|3,0,0]=4 1010 B20R2.4986 CN(CCC#N)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011215226 [0,1,0,0,0,0|3,0,0]=4 1011 B20R2.4986 CN(CCC#N)C(c1ccccc1)c2ccccc2 270004a_100000184479_100000210122 [0,1,0,0,0,0|3,0,0]=4 1012 B20R2.4986 CN(CCCF)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011934791 [0,1,0,0,0,0|3,0,0]=4 1013 B20R2.4986 CN(CCCF)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011934791 [0,1,0,0,0,0|3,0,0]=4 1014 B20R2.4986 CN(CCCO)C(c1ccccc1)c2ccccc2 2230a_100000213112_100000211591 [0,1,0,0,0,0|3,0,0]=4 1015 B20R2.4986 CN(CCCO)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000230001 [0,1,0,0,0,0|3,0,0]=4 1016 B20R2.4986 CN(CCCO)C(c1ccccc1)c2ccccc2 269982a_100000213112_100000211591 [0,1,0,0,0,0|3,0,0]=4 1017 B20R2.4986 CN(CCCO)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011215043 [0,1,0,0,0,0|3,0,0]=4 1018 B20R2.4986 CN(CCCO)C(c1ccccc1)c2ccccc2 270004a_100000213112_100000210122 [0,1,0,0,0,0|3,0,0]=4 1019 B20R2.4986 COCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000233755 [0,1,0,0,0,0|2,0,0]=3 1020 B20R2.4986 COCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000749529_100011216954 [0,1,0,0,0,0|2,0,0]=3 1021 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000743101_100000211591 [0,1,0,0,0,0|2,0,0]=3 1022 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011201679 [0,1,0,0,0,0|2,0,0]=3 1023 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000743101_100000211591 [0,1,0,0,0,0|2,0,0]=3 1024 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000233755 [0,1,0,0,0,0|2,0,0]=3 1025 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000743101_100000210122 [0,1,0,0,0,0|2,0,0]=3 1026 B20R2.4986 COCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000743101_100000210380 [0,1,0,0,0,0|3,0,0]=4 1027 B20R2.4986 COCCN(C)C(c1ccccc1)c2cccnc2 270004a_100000743101_100000735413 [0,1,0,0,0,0|3,0,0]=4 1028 B20R2.4986 CSCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000174002_100011216954 [0,1,0,0,0,0|2,0,0]=3 1029 B20R2.4986 CSCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000751147 [0,1,0,0,0,0|2,0,0]=3 1030 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000686725_100000211591 [0,1,0,0,0,0|2,0,0]=3 1031 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000751147 [0,1,0,0,0,0|2,0,0]=3 1032 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000686725_100000211591 [0,1,0,0,0,0|2,0,0]=3 1033 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000212216 [0,1,0,0,0,0|2,0,0]=3 1034 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000686725_100000210122 [0,1,0,0,0,0|2,0,0]=3 1035 B20R2.4986 CSCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000686725_100000210380 [0,1,0,0,0,0|3,0,0]=4 1036 B20R2.4986 CSCCN(C)C(c1ccccc1)c2cccnc2 270004a_100000686725_100000735413 [0,1,0,0,0,0|3,0,0]=4 1037 B20R2.4986 N#CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011215226 [0,1,0,0,0,0|3,0,0]=4 1038 B20R2.4986 N#CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100011934036_100011216954 [0,1,0,0,0,0|3,0,0]=4 1039 B20R2.4986 O=C(CCCF)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011934791 [0,1,0,0,0,0|3,0,0]=4 1040 B20R2.4986 O=C(CCCO)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011215043 [0,1,0,0,0,0|3,0,0]=4 1041 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730704 [0,1,0,0,0,0|2,0,0]=3 1042 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730704 [0,1,0,0,0,0|2,0,0]=3 1043 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000730704 [0,1,0,0,0,0|3,0,0]=4 1044 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000730704 [0,1,0,0,0,0|3,0,0]=4 1045 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000730704 [0,1,0,0,0,0|3,0,0]=4 1046 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000730704 [0,1,0,0,0,0|1,0,0]=2 1047 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730704 [0,1,0,0,0,0|1,0,0]=2 1048 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730704 [0,1,0,0,0,0|2,0,0]=3 1049 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748629 [0,1,0,0,0,0|3,0,0]=4 1050 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748629 [0,1,0,0,0,0|3,0,0]=4 1051 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748629 [0,1,0,0,0,0|3,0,0]=4 1052 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748629 [0,1,0,0,0,0|3,0,0]=4 1053 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 2230a_100000162943_100000761012 [0,1,0,0,0,0|2,0,1]=4 1054 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 270004a_100000718196_100000210122 [0,1,0,0,0,0|2,0,1]=4 1055 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 34a_100000162943_100000761012 [0,1,0,0,0,0|2,0,1]=4 1056 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 34a_100000211180_100000761012 [0,1,0,0,0,0|1,0,1]=3 1057 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 7a_100000211180_100000761012 [0,1,0,0,0,0|1,0,1]=3 1058 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccn2)C 7a_100000180852_100000761012 [0,1,0,0,0,0|2,0,1]=4 1059 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000070787_100000734929 [0,1,0,0,0,0|1,0,0]=2 1060 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000053229 [0,1,0,0,0,0|1,0,0]=2 1061 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000759926_100011216954 [0,1,0,0,0,0|1,0,0]=2 1062 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000053229 [0,1,0,0,0,0|2,0,0]=3 1063 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000053229_100011216954 [0,1,0,0,0,0|1,1,0]=3 1064 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000053229 [0,1,0,0,0,0|1,1,0]=3 1065 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100015343762 [0,1,0,0,0,0|3,0,0]=4 1066 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100015343762 [0,1,0,0,0,0|3,0,0]=4 1067 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100015343762 [0,1,0,0,0,0|3,0,0]=4 1068 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100103153847 [0,1,0,0,0,0|3,0,0]=4 1069 B20R2.10799 CC(=O)OCNC(c1ccccc1)c2ccccc2 34a_100000162943_100009813279 [0,1,0,0,0,0|3,0,0]=4 1070 B20R2.10799 CC(=O)OCOC(c1ccccc1)c2ccccc2 34a_100000211180_100009813279 [0,1,0,0,0,0|2,0,0]=3 1071 B20R2.10799 CC(=O)OCSC(c1ccccc1)c2ccccc2 62a_100000076356_100011216954 [0,1,0,0,0,0|2,1,0]=4 1072 B20R2.10799 CC(=O)OCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000076356 [0,1,0,0,0,0|2,1,0]=4 1073 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210312 [0,1,0,0,0,0|2,0,0]=3 1074 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 269862a_100000162943_100000185833 [0,1,0,0,0,0|2,0,0]=3 1075 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210545_100000210122 [0,1,0,0,0,0|2,0,0]=3 1076 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210312 [0,1,0,0,0,0|2,0,0]=3 1077 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210312 [0,1,0,0,0,0|3,0,0]=4 1078 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 269862a_100000689936_100000185833 [0,1,0,0,0,0|3,0,0]=4 1079 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210545_100000210380 [0,1,0,0,0,0|3,0,0]=4 1080 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210312 [0,1,0,0,0,0|3,0,0]=4 1081 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210545_100000735413 [0,1,0,0,0,0|3,0,0]=4 1082 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210312 [0,1,0,0,0,0|3,0,0]=4 1083 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 269862a_100025760769_100000185833 [0,1,0,0,0,0|3,0,0]=4 1084 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210312 [0,1,0,0,0,0|1,0,0]=2 1085 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000210254_100011216954 [0,1,0,0,0,0|1,0,0]=2 1086 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210626 [0,1,0,0,0,0|1,0,0]=2 1087 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210626 [0,1,0,0,0,0|2,0,0]=3 1088 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210760 [0,1,0,0,0,0|3,0,0]=4 1089 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210432 [0,1,0,0,0,0|3,0,0]=4 1090 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210624 [0,1,0,0,0,0|3,0,0]=4 1091 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210624 [0,1,0,0,0,0|3,0,0]=4 1092 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210760 [0,1,0,0,0,0|3,0,0]=4 1093 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210206 [0,1,0,0,0,0|3,0,0]=4 1094 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100138425928_100009813428 [0,1,0,0,0,0|3,0,0]=4 1095 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210206 [0,1,0,0,0,0|3,0,0]=4 1096 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100138425928_100009813428 [0,1,0,0,0,0|3,0,0]=4 1097 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210206 [0,1,0,0,0,0|3,0,0]=4 1098 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000212225_100009813428 [0,1,0,0,0,0|3,0,0]=4 1099 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210206 [0,1,0,0,0,0|3,0,0]=4 1100 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000709892 [0,1,0,0,0,0|3,0,0]=4 1101 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000709892 [0,1,0,0,0,0|3,0,0]=4 1102 B20R2.10799 CC(C)OCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000709892 [0,1,0,0,0,0|2,0,0]=3 1103 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000709892 [0,1,0,0,0,0|2,1,0]=4 1104 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000709892_100011216954 [0,1,0,0,0,0|2,1,0]=4 1105 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100012276601 [0,1,0,0,0,0|2,0,0]=3 1106 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_200000755665_100000211591 [0,1,0,0,0,0|2,0,0]=3 1107 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 270004a_200000755665_100000210122 [0,1,0,0,0,0|2,0,0]=3 1108 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012276601 [0,1,0,0,0,0|2,0,0]=3 1109 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100012276601 [0,1,0,0,0,0|3,0,0]=4 1110 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 270004a_200000755665_100000210380 [0,1,0,0,0,0|3,0,0]=4 1111 B20R2.10799 CC(O)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100012276601 [0,1,0,0,0,0|3,0,0]=4 1112 B20R2.10799 CC(O)CCNC(c1ccccc1)c2cccnc2 270004a_200000755665_100000735413 [0,1,0,0,0,0|3,0,0]=4 1113 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100012276601 [0,1,0,0,0,0|3,0,0]=4 1114 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012276601 [0,1,0,0,0,0|1,0,0]=2 1115 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100012276601 [0,1,0,0,0,0|1,0,0]=2 1116 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100012276601 [0,1,0,0,0,0|2,0,0]=3 1117 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100012276601 [0,1,0,0,0,0|1,1,0]=3 1118 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100012276601_100011216954 [0,1,0,0,0,0|1,1,0]=3 1119 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218427 [0,1,0,0,0,0|3,0,0]=4 1120 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218427 [0,1,0,0,0,0|3,0,0]=4 1121 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218427 [0,1,0,0,0,0|3,0,0]=4 1122 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100011218427 [0,1,0,0,0,0|3,0,0]=4 1123 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210585_100000210122 [0,1,0,0,0,0|1,0,0]=2 1124 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210585_100000210380 [0,1,0,0,0,0|2,0,0]=3 1125 B20R2.10799 CN(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210585_100000735413 [0,1,0,0,0,0|2,0,0]=3 1126 B20R2.10799 CN(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000210585_100011376182 [0,1,0,0,0,0|3,0,0]=4 1127 B20R2.10799 CN(C)CCNC(c1cccnc1)c2cccnc2 270004a_100000210585_200011376183 [0,1,0,0,0,0|3,0,0]=4 1128 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_100102631434_100000734929 [0,1,0,0,0,0|0,0,0]=1 1129 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200000210301 [0,1,0,0,0,0|0,0,0]=1 1130 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_100102631434_100000734929 [0,1,0,0,0,0|0,0,0]=1 1131 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200000210301 [0,1,0,0,0,0|0,0,0]=1 1132 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000755713 [0,1,0,0,0,0|0,0,0]=1 1133 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000755713 [0,1,0,0,0,0|1,0,0]=2 1134 B20R2.10799 CN(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000755713 [0,1,0,0,0,0|0,1,0]=2 1135 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200025704644 [0,1,0,0,0,0|0,0,0]=1 1136 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200025704644 [0,1,0,0,0,0|0,0,0]=1 1137 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009817552 [0,1,0,0,0,0|3,0,0]=4 1138 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009817552 [0,1,0,0,0,0|3,0,0]=4 1139 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009817552 [0,1,0,0,0,0|3,0,0]=4 1140 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009817552 [0,1,0,0,0,0|3,0,0]=4 1141 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000744528 [0,1,0,0,0,0|3,0,0]=4 1142 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000731001 [0,1,0,0,0,0|3,0,0]=4 1143 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000731001 [0,1,0,0,0,0|2,0,0]=3 1144 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000744528 [0,1,0,0,0,0|2,0,0]=3 1145 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000757172_100011216954 [0,1,0,0,0,0|2,0,0]=3 1146 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000744528 [0,1,0,0,0,0|3,0,0]=4 1147 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000744528 [0,1,0,0,0,0|2,1,0]=4 1148 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000744528_100011216954 [0,1,0,0,0,0|2,1,0]=4 1149 B20R2.14082 C#CCC(C)OC(c1ccccc1)c2ccccc2 7a_100000685586_100011216954 [0,1,0,0,0,0|1,0,1]=3 1150 B20R2.14082 C=CC[C@@H](C)OC(c1ccccc1)c2ccccc2 7a_100000731007_100011216954 [0,1,0,0,0,0|1,0,1]=3 1151 B20R2.14082 CC(CC#N)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100009813641 [0,1,0,0,0,0|3,0,0]=4 1152 B20R2.14082 CC(CC#N)OC(c1ccccc1)c2ccccc2 7a_100000211180_100009813641 [0,1,0,0,0,0|2,0,0]=3 1153 B20R2.14082 CC(CC#N)OC(c1ccccc1)c2ccccn2 7a_100000180852_100009813641 [0,1,0,0,0,0|3,0,0]=4 1154 B20R2.14082 CC(CC#N)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009813641 [0,1,0,0,0,0|2,1,0]=4 1155 B20R2.14082 CC(CC#N)SC(c1ccccc1)c2ccccc2 62a_100009813641_100011216954 [0,1,0,0,0,0|2,1,0]=4 1156 B20R2.14082 CC(CCO)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100009893172 [0,1,0,0,0,0|3,0,0]=4 1157 B20R2.14082 CC(CCO)NC(c1ccccc1)c2ccccc2 34a_100000162943_100009893172 [0,1,0,0,0,0|3,0,0]=4 1158 B20R2.14082 CC(CCO)OC(c1ccccc1)c2ccccc2 34a_100000211180_100009893172 [0,1,0,0,0,0|2,0,0]=3 1159 B20R2.14082 CC(CCO)OC(c1ccccc1)c2ccccc2 7a_100000211180_100009893172 [0,1,0,0,0,0|2,0,0]=3 1160 B20R2.14082 CC(CCO)OC(c1ccccc1)c2ccccn2 7a_100000180852_100009893172 [0,1,0,0,0,0|3,0,0]=4 1161 B20R2.14082 CC(CCO)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009893172 [0,1,0,0,0,0|2,1,0]=4 1162 B20R2.14082 CC(CCO)SC(c1ccccc1)c2ccccc2 62a_100009893172_100011216954 [0,1,0,0,0,0|2,1,0]=4 1163 B20R2.14082 CCCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210303 [0,1,0,0,0,0|2,0,1]=4 1164 B20R2.14082 CCCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000211992 [0,1,0,0,0,0|2,0,1]=4 1165 B20R2.14082 CCCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000211992 [0,1,0,0,0,0|2,0,1]=4 1166 B20R2.14082 CCCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000211992 [0,1,0,0,0,0|2,0,1]=4 1167 B20R2.14082 CCCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000211992 [0,1,0,0,0,0|2,0,1]=4 1168 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000766640 [0,1,0,0,0,0|2,0,0]=3 1169 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000741246_100000211591 [0,1,0,0,0,0|2,0,0]=3 1170 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000211909 [0,1,0,0,0,0|2,0,0]=3 1171 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000741246_100000210122 [0,1,0,0,0,0|2,0,0]=3 1172 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000766640 [0,1,0,0,0,0|2,0,0]=3 1173 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000766640 [0,1,0,0,0,0|3,0,0]=4 1174 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000689936_100000211909 [0,1,0,0,0,0|3,0,0]=4 1175 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000741246_100000210380 [0,1,0,0,0,0|3,0,0]=4 1176 B20R2.14082 CCCC(C)NC(c1ccccc1)c2cccnc2 2230a_100011232609_100000766640 [0,1,0,0,0,0|3,0,0]=4 1177 B20R2.14082 CCCC(C)NC(c1ccccc1)c2cccnc2 270004a_100000741246_100000735413 [0,1,0,0,0,0|3,0,0]=4 1178 B20R2.14082 CCCC(C)NC(c1ccccc1)c2cccnc2 270004a_100011232609_100000211909 [0,1,0,0,0,0|3,0,0]=4 1179 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccncc2 2230a_100025760769_100000766640 [0,1,0,0,0,0|3,0,0]=4 1180 B20R2.14082 CCCC(C)NC(c1ccccc1)c2ccncc2 270004a_100025760769_100000211909 [0,1,0,0,0,0|3,0,0]=4 1181 B20R2.14082 CCCC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000766640 [0,1,0,0,0,0|1,0,0]=2 1182 B20R2.14082 CCCC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000766640 [0,1,0,0,0,0|1,0,0]=2 1183 B20R2.14082 CCCC(C)OC(c1ccccc1)c2ccccc2 7a_100000764384_100011216954 [0,1,0,0,0,0|1,0,0]=2 1184 B20R2.14082 CCCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000766640 [0,1,0,0,0,0|2,0,0]=3 1185 B20R2.14082 CCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100015525214_200000011111 [0,1,0,0,0,0|3,0,0]=4 1186 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 2230a_100000589768_200000210301 [0,1,0,0,0,0|1,0,1]=3 1187 B20R2.14082 CNNC(=O)CC(c1ccccc1)c2ccccc2 22a_100016993582_100000499737 [0,1,0,0,0,0|2,0,1]=4 1188 B20R2.14082 CNNC(=O)NC(c1ccccc1)c2ccccc2 512a_100016993582_100000162943 [0,1,0,0,0,0|2,0,1]=4 1189 B20R2.14082 COCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000210968 [0,1,0,0,0,0|2,0,1]=4 1190 B20R2.14082 COCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000210968 [0,1,0,0,0,0|2,0,1]=4 1191 B20R2.14082 COCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000210968 [0,1,0,0,0,0|2,0,1]=4 1192 B20R2.14082 COCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000210968 [0,1,0,0,0,0|2,0,1]=4 1193 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000765312 [0,1,0,0,0,0|2,0,0]=3 1194 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000749346 [0,1,0,0,0,0|2,0,0]=3 1195 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000765312 [0,1,0,0,0,0|2,0,0]=3 1196 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000765312 [0,1,0,0,0,0|3,0,0]=4 1197 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000689936_100000749346 [0,1,0,0,0,0|3,0,0]=4 1198 B20R2.14082 COCC(C)NC(c1ccccc1)c2cccnc2 2230a_100011232609_100000765312 [0,1,0,0,0,0|3,0,0]=4 1199 B20R2.14082 COCC(C)NC(c1ccccc1)c2cccnc2 270004a_100011232609_100000749346 [0,1,0,0,0,0|3,0,0]=4 1200 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccncc2 2230a_100025760769_100000765312 [0,1,0,0,0,0|3,0,0]=4 1201 B20R2.14082 COCC(C)NC(c1ccccc1)c2ccncc2 270004a_100025760769_100000749346 [0,1,0,0,0,0|3,0,0]=4 1202 B20R2.14082 COCC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000765312 [0,1,0,0,0,0|1,0,0]=2 1203 B20R2.14082 COCC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000765312 [0,1,0,0,0,0|1,0,0]=2 1204 B20R2.14082 COCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000765312 [0,1,0,0,0,0|2,0,0]=3 1205 B20R2.14082 COCC(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100000765312 [0,1,0,0,0,0|1,1,0]=3 1206 B20R2.14082 COCC(C)SC(c1ccccc1)c2ccccc2 62a_100000765312_100011216954 [0,1,0,0,0,0|1,1,0]=3 1207 B20R2.14082 COC[C@@H](C)NC(c1ccccc1)c2ccccc2 2230a_100000764878_100000211591 [0,1,0,0,0,0|2,0,0]=3 1208 B20R2.14082 COC[C@@H](C)NC(c1ccccc1)c2ccccc2 270004a_100000764878_100000210122 [0,1,0,0,0,0|2,0,0]=3 1209 B20R2.14082 COC[C@@H](C)NC(c1ccccc1)c2ccccn2 270004a_100000764878_100000210380 [0,1,0,0,0,0|3,0,0]=4 1210 B20R2.14082 COC[C@@H](C)NC(c1ccccc1)c2cccnc2 270004a_100000764878_100000735413 [0,1,0,0,0,0|3,0,0]=4 1211 B20R2.14082 CSCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000184570 [0,1,0,0,0,0|2,0,1]=4 1212 B20R2.14082 CSCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000184570 [0,1,0,0,0,0|2,0,1]=4 1213 B20R2.14082 CSCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000184570 [0,1,0,0,0,0|2,0,1]=4 1214 B20R2.14082 CSCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000184570 [0,1,0,0,0,0|2,0,1]=4 1215 B20R2.14082 CSCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100011216314 [0,1,0,0,0,0|2,0,0]=3 1216 B20R2.14082 CSCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000689936_100011216314 [0,1,0,0,0,0|3,0,0]=4 1217 B20R2.14082 CSCC(C)NC(c1ccccc1)c2cccnc2 270004a_100011232609_100011216314 [0,1,0,0,0,0|3,0,0]=4 1218 B20R2.14082 CSCC(C)NC(c1ccccc1)c2ccncc2 270004a_100025760769_100011216314 [0,1,0,0,0,0|3,0,0]=4 1219 B20R2.14082 C[C@@H](CC#N)NC(c1ccccc1)c2ccccc2 2230a_100016994482_100000211591 [0,1,0,0,0,0|3,0,0]=4 1220 B20R2.14082 C[C@H](CCO)NC(c1ccccc1)c2ccccc2 2230a_100000706166_100000211591 [0,1,0,0,0,0|3,0,0]=4 1221 B20R2.14082 C[C@H](CCO)NC(c1ccccc1)c2ccccc2 270004a_100000706166_100000210122 [0,1,0,0,0,0|3,0,0]=4 1222 B20R2.14082 [13CH3]NCC(=O)NC(c1ccccc1)c2ccccc2 2230a_100000589768_200025704644 [0,1,0,0,0,0|1,0,1]=3 1223 B20R2.18148 C=C(C#N)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000694840 [0,1,0,0,0,0|2,0,1]=4 1224 B20R2.18148 C=CC(C)COC(c1ccccc1)c2ccccc2 7a_100011215527_100011216954 [0,1,0,0,0,0|1,0,1]=3 1225 B20R2.18148 C=CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730141 [0,1,0,0,0,0|2,0,1]=4 1226 B20R2.18148 C=CC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730141 [0,1,0,0,0,0|2,0,1]=4 1227 B20R2.18148 C=CC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000730141 [0,1,0,0,0,0|1,0,1]=3 1228 B20R2.18148 C=CC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000730141 [0,1,0,0,0,0|1,0,1]=3 1229 B20R2.18148 C=CC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000730141 [0,1,0,0,0,0|2,0,1]=4 1230 B20R2.18148 C=CC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000730141 [0,1,0,0,0,0|1,1,1]=4 1231 B20R2.18148 C=CC(O)CSC(c1ccccc1)c2ccccc2 62a_100000730141_100011216954 [0,1,0,0,0,0|1,1,1]=4 1232 B20R2.18148 CCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210414_100009813428 [0,1,0,0,0,0|2,0,1]=4 1233 B20R2.18148 CCC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000747405 [0,1,0,0,0,0|1,0,1]=3 1234 B20R2.18148 CCC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747405 [0,1,0,0,0,0|2,0,1]=4 1235 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_100000210202 [0,1,0,0,0,0|1,1,1]=4 1236 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747405 [0,1,0,0,0,0|1,1,1]=4 1237 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747405_100011216954 [0,1,0,0,0,0|1,1,1]=4 1238 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748023 [0,1,0,0,0,0|2,0,0]=3 1239 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100020588543_100000211591 [0,1,0,0,0,0|2,0,0]=3 1240 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000243153 [0,1,0,0,0,0|2,0,0]=3 1241 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100020588543_100000210122 [0,1,0,0,0,0|2,0,0]=3 1242 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748023 [0,1,0,0,0,0|2,0,0]=3 1243 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748023 [0,1,0,0,0,0|3,0,0]=4 1244 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000243153 [0,1,0,0,0,0|3,0,0]=4 1245 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100020588543_100000210380 [0,1,0,0,0,0|3,0,0]=4 1246 B20R2.18148 CCC(C)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000748023 [0,1,0,0,0,0|3,0,0]=4 1247 B20R2.18148 CCC(C)CNC(c1ccccc1)c2cccnc2 270004a_100011232609_100000243153 [0,1,0,0,0,0|3,0,0]=4 1248 B20R2.18148 CCC(C)CNC(c1ccccc1)c2cccnc2 270004a_100020588543_100000735413 [0,1,0,0,0,0|3,0,0]=4 1249 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000748023 [0,1,0,0,0,0|3,0,0]=4 1250 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccncc2 270004a_100025760769_100000243153 [0,1,0,0,0,0|3,0,0]=4 1251 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748023 [0,1,0,0,0,0|1,0,0]=2 1252 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748023 [0,1,0,0,0,0|1,0,0]=2 1253 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748023 [0,1,0,0,0,0|2,0,0]=3 1254 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000758301 [0,1,0,0,0,0|3,0,0]=4 1255 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100011215416 [0,1,0,0,0,0|3,0,0]=4 1256 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100011215416 [0,1,0,0,0,0|3,0,0]=4 1257 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000758301 [0,1,0,0,0,0|3,0,0]=4 1258 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218378 [0,1,0,0,0,0|2,0,0]=3 1259 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccc2 2230a_100011218483_100000211591 [0,1,0,0,0,0|2,0,0]=3 1260 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccc2 270004a_100011218483_100000210122 [0,1,0,0,0,0|2,0,0]=3 1261 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218378 [0,1,0,0,0,0|2,0,0]=3 1262 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218378 [0,1,0,0,0,0|3,0,0]=4 1263 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 270004a_100011218483_100000210380 [0,1,0,0,0,0|3,0,0]=4 1264 B20R2.18148 CCC(O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011218378 [0,1,0,0,0,0|3,0,0]=4 1265 B20R2.18148 CCC(O)CNC(c1ccccc1)c2cccnc2 270004a_100011218483_100000735413 [0,1,0,0,0,0|3,0,0]=4 1266 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011218378 [0,1,0,0,0,0|3,0,0]=4 1267 B20R2.18148 CCC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011218378 [0,1,0,0,0,0|1,0,0]=2 1268 B20R2.18148 CCC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011218378 [0,1,0,0,0,0|1,0,0]=2 1269 B20R2.18148 CCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218378 [0,1,0,0,0,0|2,0,0]=3 1270 B20R2.18148 CCC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218378 [0,1,0,0,0,0|1,1,0]=3 1271 B20R2.18148 CCC(O)CSC(c1ccccc1)c2ccccc2 62a_100011218378_100011216954 [0,1,0,0,0,0|1,1,0]=3 1272 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225621_100009813428 [0,1,0,0,0,0|3,0,0]=4 1273 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210202 [0,1,0,0,0,0|3,0,0]=4 1274 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225621_100009813428 [0,1,0,0,0,0|3,0,0]=4 1275 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000204670 [0,1,0,0,0,0|3,0,0]=4 1276 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210202 [0,1,0,0,0,0|3,0,0]=4 1277 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009816398 [0,1,0,0,0,0|2,0,0]=3 1278 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009816398 [0,1,0,0,0,0|2,0,0]=3 1279 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009816398 [0,1,0,0,0,0|3,0,0]=4 1280 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100009816398 [0,1,0,0,0,0|3,0,0]=4 1281 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100009816398 [0,1,0,0,0,0|3,0,0]=4 1282 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009816398 [0,1,0,0,0,0|1,0,0]=2 1283 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009816398 [0,1,0,0,0,0|1,0,0]=2 1284 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100009816381_100011216954 [0,1,0,0,0,0|1,0,0]=2 1285 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009816398 [0,1,0,0,0,0|2,0,0]=3 1286 B20R2.18148 CNC(=O)CCP(c1ccccc1)c2ccccc2 1626a_100102657272_100020644332 [0,1,0,0,0,0|2,0,1]=4 1287 B20R2.18148 CNC(=O)CCP(c1ccccc1)c2ccccc2 240690a_100102657272_100020644332 [0,1,0,0,0,0|2,0,1]=4 1288 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000183359 [0,1,0,0,0,0|1,0,1]=3 1289 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000693194_100000211591 [0,1,0,0,0,0|1,0,1]=3 1290 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 270004a_100000693194_100000210122 [0,1,0,0,0,0|1,0,1]=3 1291 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000183359 [0,1,0,0,0,0|1,0,1]=3 1292 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000183359 [0,1,0,0,0,0|2,0,1]=4 1293 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 270004a_100000693194_100000210380 [0,1,0,0,0,0|2,0,1]=4 1294 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000183359 [0,1,0,0,0,0|2,0,1]=4 1295 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2cccnc2 270004a_100000693194_100000735413 [0,1,0,0,0,0|2,0,1]=4 1296 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000183359 [0,1,0,0,0,0|2,0,1]=4 1297 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000183359 [0,1,0,0,0,0|0,0,1]=2 1298 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000183359 [0,1,0,0,0,0|0,0,1]=2 1299 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000183359 [0,1,0,0,0,0|1,0,1]=3 1300 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 11a_106832991635_100000683935 [0,1,0,0,0,0|0,1,1]=3 1301 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 1626a_100102657272_100000683935 [0,1,0,0,0,0|0,1,1]=3 1302 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 240690a_100102657272_100000683935 [0,1,0,0,0,0|0,1,1]=3 1303 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 527a_100102657272_100000683935 [0,1,0,0,0,0|0,1,1]=3 1304 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000183359_100011216954 [0,1,0,0,0,0|0,1,1]=3 1305 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000183359 [0,1,0,0,0,0|0,1,1]=3 1306 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100000739227_106832991635 [0,1,0,0,0,0|2,0,1]=4 1307 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100102657272_100000739227 [0,1,0,0,0,0|2,0,1]=4 1308 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100000739227_100102657272 [0,1,0,0,0,0|2,0,1]=4 1309 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100102657272_100000739227 [0,1,0,0,0,0|2,0,1]=4 1310 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 512a_106832991638_100000739227 [0,1,0,0,0,0|2,0,1]=4 1311 B20R2.18148 CNC(=O)NNC(c1ccccc1)c2ccccc2 273464a_100102657272_100000742501 [0,1,0,0,0,0|2,0,1]=4 1312 B20R2.18148 CNC(=O)NNC(c1ccccc1)c2ccccc2 512a_106832991638_100000742501 [0,1,0,0,0,0|2,0,1]=4 1313 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000747449 [0,1,0,0,0,0|2,0,1]=4 1314 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000747449 [0,1,0,0,0,0|2,0,1]=4 1315 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000747449 [0,1,0,0,0,0|1,0,1]=3 1316 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000747449 [0,1,0,0,0,0|1,0,1]=3 1317 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747449 [0,1,0,0,0,0|2,0,1]=4 1318 B20R2.18148 COC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747449 [0,1,0,0,0,0|1,1,1]=4 1319 B20R2.18148 COC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747449_100011216954 [0,1,0,0,0,0|1,1,1]=4 1320 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100020591295_100000211591 [0,1,0,0,0,0|2,0,0]=3 1321 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 270004a_100020591295_100000210122 [0,1,0,0,0,0|2,0,0]=3 1322 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccn2 270004a_100020591295_100000210380 [0,1,0,0,0,0|3,0,0]=4 1323 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2cccnc2 270004a_100020591295_100000735413 [0,1,0,0,0,0|3,0,0]=4 1324 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 1325 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 1326 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000059175 [0,1,0,0,0,0|2,0,0]=3 1327 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000059175 [0,1,0,0,0,0|2,0,0]=3 1328 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000059175 [0,1,0,0,0,0|3,0,0]=4 1329 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000059175_100011216954 [0,1,0,0,0,0|2,1,0]=4 1330 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000059175 [0,1,0,0,0,0|2,1,0]=4 1331 B20R2.18148 OCC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011219619 [0,1,0,0,0,0|3,0,0]=4 1332 B20R2.18148 OCC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011219619 [0,1,0,0,0,0|3,0,0]=4 1333 B20R2.18148 OCC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011219619 [0,1,0,0,0,0|2,0,0]=3 1334 B20R2.18148 OCC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011219619 [0,1,0,0,0,0|2,0,0]=3 1335 B20R2.18148 OCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011219619 [0,1,0,0,0,0|3,0,0]=4 1336 B20R2.18148 OCC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011219619 [0,1,0,0,0,0|2,1,0]=4 1337 B20R2.18148 OCC(O)CSC(c1ccccc1)c2ccccc2 62a_100011219619_100011216954 [0,1,0,0,0,0|2,1,0]=4 1338 B20R2.18148 OC[C@@H](O)CNC(c1ccccc1)c2ccccc2 2230a_100020644852_100000211591 [0,1,0,0,0,0|3,0,0]=4 1339 B20R2.18148 OC[C@H](F)CNC(c1ccccc1)c2ccccc2 270004a_100015665980_100000210122 [0,1,0,0,0,0|3,0,0]=4 1340 B20R2.18148 OC[C@H](O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009815848 [0,1,0,0,0,0|3,0,0]=4 1341 B20R2.18148 OC[C@H](O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009815848 [0,1,0,0,0,0|3,0,0]=4 1342 B20R2.18148 OC[C@H](O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009815848 [0,1,0,0,0,0|2,0,0]=3 1343 B20R2.18148 OC[C@H](O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009815848 [0,1,0,0,0,0|2,0,0]=3 1344 B20R2.18148 OC[C@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009815848 [0,1,0,0,0,0|3,0,0]=4 1345 B20R2.18148 OC[C@H](O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100009815848 [0,1,0,0,0,0|2,1,0]=4 1346 B20R2.18148 OC[C@H](O)CSC(c1ccccc1)c2ccccc2 62a_100009815848_100011216954 [0,1,0,0,0,0|2,1,0]=4 1347 B20R2.18148 O[C@@H](CF)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100015614560 [0,1,0,0,0,0|3,0,0]=4 1348 B20R2.18148 O[C@@H](CF)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100015614560 [0,1,0,0,0,0|3,0,0]=4 1349 B20R2.18148 O[C@@H](CF)COC(c1ccccc1)c2ccccc2 34a_100000211180_100015614560 [0,1,0,0,0,0|2,0,0]=3 1350 B20R2.18148 O[C@@H](CF)COC(c1ccccc1)c2ccccc2 7a_100000211180_100015614560 [0,1,0,0,0,0|2,0,0]=3 1351 B20R2.18148 O[C@@H](CF)COC(c1ccccc1)c2ccccn2 7a_100000180852_100015614560 [0,1,0,0,0,0|3,0,0]=4 1352 B20R2.18148 O[C@@H](CF)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100015614560 [0,1,0,0,0,0|2,1,0]=4 1353 B20R2.18148 O[C@@H](CF)CSC(c1ccccc1)c2ccccc2 62a_100015614560_100011216954 [0,1,0,0,0,0|2,1,0]=4 1354 B20R2.19886 C#CCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000688953 [0,1,0,0,0,0|1,0,1]=3 1355 B20R2.19886 C#CCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000688953 [0,1,0,0,0,0|2,0,1]=4 1356 B20R2.19886 C/C=C/COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100102629194 [0,1,0,0,0,0|1,0,1]=3 1357 B20R2.19886 C/C=C/COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100102629194 [0,1,0,0,0,0|2,0,1]=4 1358 B20R2.19886 C=CCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000754431 [0,1,0,0,0,0|1,0,1]=3 1359 B20R2.19886 C=CCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000754431 [0,1,0,0,0,0|2,0,1]=4 1360 B20R2.19886 CC#CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000748600 [0,1,0,0,0,0|1,0,1]=3 1361 B20R2.19886 CC#CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000748600 [0,1,0,0,0,0|2,0,1]=4 1362 B20R2.19886 CC(OCCC#N)(c1ccccc1)c2ccccc2 7a_100011202337_100000184422 [0,1,0,0,0,0|2,0,0]=3 1363 B20R2.19886 CC(OCCC#N)(c1ccccc1)c2ccccn2 7a_200000075192_100000184422 [0,1,0,0,0,0|3,0,0]=4 1364 B20R2.19886 CC(OCCCF)(c1ccccc1)c2ccccc2 7a_100011202337_100011934791 [0,1,0,0,0,0|2,0,0]=3 1365 B20R2.19886 CC(OCCCF)(c1ccccc1)c2ccccn2 7a_200000075192_100011934791 [0,1,0,0,0,0|3,0,0]=4 1366 B20R2.19886 CC(OCCCO)(c1ccccc1)c2ccccc2 7a_100011202337_100011215043 [0,1,0,0,0,0|2,0,0]=3 1367 B20R2.19886 CC(OCCCO)(c1ccccc1)c2ccccn2 7a_200000075192_100011215043 [0,1,0,0,0,0|3,0,0]=4 1368 B20R2.19886 CC=CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000070051 [0,1,0,0,0,0|1,0,1]=3 1369 B20R2.19886 CC=CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000070051 [0,1,0,0,0,0|2,0,1]=4 1370 B20R2.19886 CCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000210211 [0,1,0,0,0,0|1,0,0]=2 1371 B20R2.19886 CCCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210211 [0,1,0,0,0,0|2,0,0]=3 1372 B20R2.19886 CCCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210303 [0,1,0,0,0,0|3,0,0]=4 1373 B20R2.19886 COCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000233755 [0,1,0,0,0,0|1,0,0]=2 1374 B20R2.19886 COCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000233755 [0,1,0,0,0,0|2,0,0]=3 1375 B20R2.19886 COCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000766300 [0,1,0,0,0,0|3,0,0]=4 1376 B20R2.19886 CSCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000212216 [0,1,0,0,0,0|1,0,0]=2 1377 B20R2.19886 CSCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000212216 [0,1,0,0,0,0|2,0,0]=3 1378 B20R2.19886 CSCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100011218213 [0,1,0,0,0,0|3,0,0]=4 1379 B20R2.21885 C#CCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000688953 [0,1,0,0,0,0|2,0,1]=4 1380 B20R2.21885 C#CCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000688953 [0,1,0,0,0,0|2,0,1]=4 1381 B20R2.21885 C#CCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000688953 [0,1,0,0,0,0|2,0,1]=4 1382 B20R2.21885 C#CCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000688953 [0,1,0,0,0,0|2,0,1]=4 1383 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000688953 [0,1,0,0,0,0|1,0,1]=3 1384 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000688953 [0,1,0,0,0,0|1,0,1]=3 1385 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000688953 [0,1,0,0,0,0|1,0,1]=3 1386 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000688953 [0,1,0,0,0,0|1,0,1]=3 1387 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000688953 [0,1,0,0,0,0|1,0,1]=3 1388 B20R2.21885 C#CCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000688953 [0,1,0,0,0,0|1,0,1]=3 1389 B20R2.21885 C#CCCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000688953 [0,1,0,0,0,0|1,1,1]=4 1390 B20R2.21885 C#CCCSC(c1ccccc1)c2ccccc2C 62a_100000688953_100000230135 [0,1,0,0,0,0|1,1,1]=4 1391 B20R2.21885 C/C=C/CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100102629194 [0,1,0,0,0,0|2,0,1]=4 1392 B20R2.21885 C/C=C/CNC(c1ccccc1)c2ccccc2C 34a_100000222801_100102629194 [0,1,0,0,0,0|2,0,1]=4 1393 B20R2.21885 C/C=C/COC(c1ccccc1)c2ccccc2C 34a_100000212071_100102629194 [0,1,0,0,0,0|1,0,1]=3 1394 B20R2.21885 C/C=C/COC(c1ccccc1)c2ccccc2C 7a_100000212071_100102629194 [0,1,0,0,0,0|1,0,1]=3 1395 B20R2.21885 C/C=C/COC(c1ccccc1)c2ccccc2N 34a_100000246470_100102629194 [0,1,0,0,0,0|1,0,1]=3 1396 B20R2.21885 C/C=C/COC(c1ccccc1)c2ccccc2N 7a_100000246470_100102629194 [0,1,0,0,0,0|1,0,1]=3 1397 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000754431 [0,1,0,0,0,0|2,0,1]=4 1398 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2Br 270004a_100015191253_100000198044 [0,1,0,0,0,0|2,0,1]=4 1399 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000754431 [0,1,0,0,0,0|2,0,1]=4 1400 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000754431 [0,1,0,0,0,0|2,0,1]=4 1401 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2C 2230a_100015191253_100000230135 [0,1,0,0,0,0|2,0,1]=4 1402 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2C 270004a_100015191253_100000735561 [0,1,0,0,0,0|2,0,1]=4 1403 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000754431 [0,1,0,0,0,0|2,0,1]=4 1404 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2Cl 270004a_100015191253_100011215288 [0,1,0,0,0,0|2,0,1]=4 1405 B20R2.21885 C=CCCNC(c1ccccc1)c2ccccc2F 270004a_100015191253_100011217773 [0,1,0,0,0,0|2,0,1]=4 1406 B20R2.21885 C=CCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000754431 [0,1,0,0,0,0|1,0,1]=3 1407 B20R2.21885 C=CCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000754431 [0,1,0,0,0,0|1,0,1]=3 1408 B20R2.21885 C=CCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000754431 [0,1,0,0,0,0|1,0,1]=3 1409 B20R2.21885 C=CCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000754431 [0,1,0,0,0,0|1,0,1]=3 1410 B20R2.21885 CC#CCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000748600 [0,1,0,0,0,0|2,0,1]=4 1411 B20R2.21885 CC#CCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000748600 [0,1,0,0,0,0|2,0,1]=4 1412 B20R2.21885 CC#CCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000748600 [0,1,0,0,0,0|2,0,1]=4 1413 B20R2.21885 CC#CCNC(c1ccccc1)c2ccccc2C 2230a_100000685387_100000230135 [0,1,0,0,0,0|2,0,1]=4 1414 B20R2.21885 CC#CCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000748600 [0,1,0,0,0,0|2,0,1]=4 1415 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000748600 [0,1,0,0,0,0|1,0,1]=3 1416 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000748600 [0,1,0,0,0,0|1,0,1]=3 1417 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000748600 [0,1,0,0,0,0|1,0,1]=3 1418 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000748600 [0,1,0,0,0,0|1,0,1]=3 1419 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000748600 [0,1,0,0,0,0|1,0,1]=3 1420 B20R2.21885 CC#CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000748600 [0,1,0,0,0,0|1,0,1]=3 1421 B20R2.21885 CC#CCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000748600 [0,1,0,0,0,0|1,1,1]=4 1422 B20R2.21885 CC#CCSC(c1ccccc1)c2ccccc2C 62a_100000748600_100000230135 [0,1,0,0,0,0|1,1,1]=4 1423 B20R2.21885 CC=CCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000070051 [0,1,0,0,0,0|2,0,1]=4 1424 B20R2.21885 CC=CCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000070051 [0,1,0,0,0,0|2,0,1]=4 1425 B20R2.21885 CC=CCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000070051 [0,1,0,0,0,0|2,0,1]=4 1426 B20R2.21885 CC=CCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000070051 [0,1,0,0,0,0|2,0,1]=4 1427 B20R2.21885 CC=CCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000070051 [0,1,0,0,0,0|1,0,1]=3 1428 B20R2.21885 CC=CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000070051 [0,1,0,0,0,0|1,0,1]=3 1429 B20R2.21885 CC=CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000070051 [0,1,0,0,0,0|1,0,1]=3 1430 B20R2.21885 CC=CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000070051 [0,1,0,0,0,0|1,0,1]=3 1431 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210211 [0,1,0,0,0,0|2,0,0]=3 1432 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2Br 270004a_100000102301_100000198044 [0,1,0,0,0,0|2,0,0]=3 1433 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210210 [0,1,0,0,0,0|2,0,0]=3 1434 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2C 2230a_100000102301_100000230135 [0,1,0,0,0,0|2,0,0]=3 1435 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000210211 [0,1,0,0,0,0|2,0,0]=3 1436 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2C 270004a_100000102301_100000735561 [0,1,0,0,0,0|2,0,0]=3 1437 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000210210 [0,1,0,0,0,0|2,0,0]=3 1438 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2C 7a_106832991798_100000230135 [0,1,0,0,0,0|2,0,0]=3 1439 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000102301_100011215288 [0,1,0,0,0,0|2,0,0]=3 1440 B20R2.21885 CCCCNC(c1ccccc1)c2ccccc2F 270004a_100000102301_100011217773 [0,1,0,0,0,0|2,0,0]=3 1441 B20R2.21885 CCCCNC(c1ccccn1)c2ccccc2Cl 270004a_100000102301_100011400554 [0,1,0,0,0,0|3,0,0]=4 1442 B20R2.21885 CCCCNC(c1cccnc1)c2ccccc2Br 270004a_100000102301_100011532686 [0,1,0,0,0,0|3,0,0]=4 1443 B20R2.21885 CCCCNC(c1cccnc1)c2ccccc2Cl 270004a_100000102301_200011400555 [0,1,0,0,0,0|3,0,0]=4 1444 B20R2.21885 CCCCNC(c1ccncc1)c2ccccc2C 2230a_100015184055_100000210211 [0,1,0,0,0,0|3,0,0]=4 1445 B20R2.21885 CCCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000210210 [0,1,0,0,0,0|1,0,0]=2 1446 B20R2.21885 CCCCOC(c1ccccc1)c2ccccc2C 7a_100000210227_100000230135 [0,1,0,0,0,0|1,0,0]=2 1447 B20R2.21885 CCCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000210211 [0,1,0,0,0,0|1,0,0]=2 1448 B20R2.21885 CCCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210210 [0,1,0,0,0,0|1,0,0]=2 1449 B20R2.21885 CCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210211 [0,1,0,0,0,0|1,0,0]=2 1450 B20R2.21885 CCOCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000739092 [0,1,0,0,0,0|2,1,0]=4 1451 B20R2.21885 CCOCSC(c1ccccc1)c2ccccc2C 62a_100000739092_100000230135 [0,1,0,0,0,0|2,1,0]=4 1452 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011201679 [0,1,0,0,0,0|2,0,0]=3 1453 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2Br 270004a_100000209980_100000198044 [0,1,0,0,0,0|2,0,0]=3 1454 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011201679 [0,1,0,0,0,0|2,0,0]=3 1455 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2C 2230a_100000209980_100000230135 [0,1,0,0,0,0|2,0,0]=3 1456 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100011201679 [0,1,0,0,0,0|2,0,0]=3 1457 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2C 270004a_100000209980_100000735561 [0,1,0,0,0,0|2,0,0]=3 1458 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100011201679 [0,1,0,0,0,0|2,0,0]=3 1459 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000209980_100011215288 [0,1,0,0,0,0|2,0,0]=3 1460 B20R2.21885 COCCNC(c1ccccc1)c2ccccc2F 270004a_100000209980_100011217773 [0,1,0,0,0,0|2,0,0]=3 1461 B20R2.21885 COCCNC(c1ccccn1)c2ccccc2Cl 270004a_100000209980_100011400554 [0,1,0,0,0,0|3,0,0]=4 1462 B20R2.21885 COCCNC(c1cccnc1)c2ccccc2Br 270004a_100000209980_100011532686 [0,1,0,0,0,0|3,0,0]=4 1463 B20R2.21885 COCCNC(c1cccnc1)c2ccccc2Cl 270004a_100000209980_200011400555 [0,1,0,0,0,0|3,0,0]=4 1464 B20R2.21885 COCCNC(c1ccncc1)c2ccccc2C 2230a_100015184055_100011201679 [0,1,0,0,0,0|3,0,0]=4 1465 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100011201679 [0,1,0,0,0,0|1,0,0]=2 1466 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000233755 [0,1,0,0,0,0|1,0,0]=2 1467 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011201679 [0,1,0,0,0,0|1,0,0]=2 1468 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000233755 [0,1,0,0,0,0|1,0,0]=2 1469 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100011201679 [0,1,0,0,0,0|1,0,0]=2 1470 B20R2.21885 COCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000233755 [0,1,0,0,0,0|1,0,0]=2 1471 B20R2.21885 COCCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000233755 [0,1,0,0,0,0|1,1,0]=3 1472 B20R2.21885 COCCSC(c1ccccc1)c2ccccc2C 62a_100000233755_100000230135 [0,1,0,0,0,0|1,1,0]=3 1473 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000751147 [0,1,0,0,0,0|2,0,0]=3 1474 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2Br 270004a_100020590264_100000198044 [0,1,0,0,0,0|2,0,0]=3 1475 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000212216 [0,1,0,0,0,0|2,0,0]=3 1476 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000751147 [0,1,0,0,0,0|2,0,0]=3 1477 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2C 2230a_100020590264_100000230135 [0,1,0,0,0,0|2,0,0]=3 1478 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2C 270004a_100020590264_100000735561 [0,1,0,0,0,0|2,0,0]=3 1479 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000212216 [0,1,0,0,0,0|2,0,0]=3 1480 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2Cl 270004a_100020590264_100011215288 [0,1,0,0,0,0|2,0,0]=3 1481 B20R2.21885 CSCCNC(c1ccccc1)c2ccccc2F 270004a_100020590264_100011217773 [0,1,0,0,0,0|2,0,0]=3 1482 B20R2.21885 CSCCNC(c1ccccn1)c2ccccc2Cl 270004a_100020590264_100011400554 [0,1,0,0,0,0|3,0,0]=4 1483 B20R2.21885 CSCCNC(c1cccnc1)c2ccccc2Br 270004a_100020590264_100011532686 [0,1,0,0,0,0|3,0,0]=4 1484 B20R2.21885 CSCCNC(c1cccnc1)c2ccccc2Cl 270004a_100020590264_200011400555 [0,1,0,0,0,0|3,0,0]=4 1485 B20R2.21885 CSCCNC(c1ccncc1)c2ccccc2C 2230a_100015184055_100000751147 [0,1,0,0,0,0|3,0,0]=4 1486 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000212216 [0,1,0,0,0,0|1,0,0]=2 1487 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000212216 [0,1,0,0,0,0|1,0,0]=2 1488 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2C 7a_100000230434_100000230135 [0,1,0,0,0,0|1,0,0]=2 1489 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000212216 [0,1,0,0,0,0|1,0,0]=2 1490 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000212216 [0,1,0,0,0,0|1,0,0]=2 1491 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000212216 [0,1,0,0,0,0|1,0,0]=2 1492 B20R2.21885 CSCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000212216 [0,1,0,0,0,0|1,0,0]=2 1493 B20R2.21885 Cc1ccccc1C(NCCC#N)c2ccccc2 2230a_100000222801_100011215226 [0,1,0,0,0,0|3,0,0]=4 1494 B20R2.21885 Cc1ccccc1C(NCCC#N)c2ccccc2 270004a_100000720768_100000735561 [0,1,0,0,0,0|3,0,0]=4 1495 B20R2.21885 Cc1ccccc1C(NCCCF)c2ccccc2 2230a_100000222801_100011934791 [0,1,0,0,0,0|3,0,0]=4 1496 B20R2.21885 Cc1ccccc1C(NCCCF)c2ccccc2 2230a_100015189416_100000230135 [0,1,0,0,0,0|3,0,0]=4 1497 B20R2.21885 Cc1ccccc1C(NCCCF)c2ccccc2 270004a_100015189416_100000735561 [0,1,0,0,0,0|3,0,0]=4 1498 B20R2.21885 Cc1ccccc1C(NCCCF)c2ccccc2 34a_100000222801_100011934791 [0,1,0,0,0,0|3,0,0]=4 1499 B20R2.21885 Cc1ccccc1C(NCCCO)c2ccccc2 2230a_100000222801_100000230001 [0,1,0,0,0,0|3,0,0]=4 1500 B20R2.21885 Cc1ccccc1C(NCCCO)c2ccccc2 270004a_100000182051_100000735561 [0,1,0,0,0,0|3,0,0]=4 1501 B20R2.21885 Cc1ccccc1C(NCCCO)c2ccccc2 34a_100000222801_100000230001 [0,1,0,0,0,0|3,0,0]=4 1502 B20R2.21885 Cc1ccccc1C(OCCC#N)c2ccccc2 7a_100000212071_100000184422 [0,1,0,0,0,0|2,0,0]=3 1503 B20R2.21885 Cc1ccccc1C(OCCCF)c2ccccc2 34a_100000212071_100011934791 [0,1,0,0,0,0|2,0,0]=3 1504 B20R2.21885 Cc1ccccc1C(OCCCF)c2ccccc2 7a_100000212071_100011934791 [0,1,0,0,0,0|2,0,0]=3 1505 B20R2.21885 Cc1ccccc1C(OCCCO)c2ccccc2 34a_100000212071_100000230001 [0,1,0,0,0,0|2,0,0]=3 1506 B20R2.21885 Cc1ccccc1C(OCCCO)c2ccccc2 7a_100000212071_100011215043 [0,1,0,0,0,0|2,0,0]=3 1507 B20R2.21885 Cc1ccccc1C(SCCC#N)c2ccccc2 62a_100000230135_100011215226 [0,1,0,0,0,0|2,1,0]=4 1508 B20R2.21885 Cc1ccccc1C(SCCC#N)c2ccccc2 62a_100011215226_100000230135 [0,1,0,0,0,0|2,1,0]=4 1509 B20R2.21885 Cc1ccccc1C(SCCCO)c2ccccc2 62a_100000230135_100011215043 [0,1,0,0,0,0|2,1,0]=4 1510 B20R2.21885 Cc1ccccc1C(SCCCO)c2ccccc2 62a_100011215043_100000230135 [0,1,0,0,0,0|2,1,0]=4 1511 B20R2.21885 FCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011934791 [0,1,0,0,0,0|3,0,0]=4 1512 B20R2.21885 FCCCNC(c1ccccc1)c2ccccc2Br 270004a_100015189416_100000198044 [0,1,0,0,0,0|3,0,0]=4 1513 B20R2.21885 FCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011934791 [0,1,0,0,0,0|3,0,0]=4 1514 B20R2.21885 FCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100015189416_100011215288 [0,1,0,0,0,0|3,0,0]=4 1515 B20R2.21885 FCCCNC(c1ccccc1)c2ccccc2F 270004a_100015189416_100011217773 [0,1,0,0,0,0|3,0,0]=4 1516 B20R2.21885 FCCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011934791 [0,1,0,0,0,0|2,0,0]=3 1517 B20R2.21885 FCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011934791 [0,1,0,0,0,0|2,0,0]=3 1518 B20R2.21885 N#CCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011215226 [0,1,0,0,0,0|3,0,0]=4 1519 B20R2.21885 N#CCCNC(c1ccccc1)c2ccccc2Br 270004a_100000720768_100000198044 [0,1,0,0,0,0|3,0,0]=4 1520 B20R2.21885 N#CCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000720768_100011215288 [0,1,0,0,0,0|3,0,0]=4 1521 B20R2.21885 N#CCCNC(c1ccccc1)c2ccccc2F 270004a_100000720768_100011217773 [0,1,0,0,0,0|3,0,0]=4 1522 B20R2.21885 N#CCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000184422 [0,1,0,0,0,0|2,0,0]=3 1523 B20R2.21885 N#CCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000184422 [0,1,0,0,0,0|2,0,0]=3 1524 B20R2.21885 Nc1ccccc1C(OCCCF)c2ccccc2 34a_100000246470_100011934791 [0,1,0,0,0,0|2,0,0]=3 1525 B20R2.21885 Nc1ccccc1C(OCCCF)c2ccccc2 7a_100000246470_100011934791 [0,1,0,0,0,0|2,0,0]=3 1526 B20R2.21885 Nc1ccccc1C(OCCCO)c2ccccc2 34a_100000246470_100000230001 [0,1,0,0,0,0|2,0,0]=3 1527 B20R2.21885 Nc1ccccc1C(OCCCO)c2ccccc2 7a_100000246470_100011215043 [0,1,0,0,0,0|2,0,0]=3 1528 B20R2.21885 OCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000230001 [0,1,0,0,0,0|3,0,0]=4 1529 B20R2.21885 OCCCNC(c1ccccc1)c2ccccc2Br 270004a_100000182051_100000198044 [0,1,0,0,0,0|3,0,0]=4 1530 B20R2.21885 OCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000230001 [0,1,0,0,0,0|3,0,0]=4 1531 B20R2.21885 OCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000182051_100011215288 [0,1,0,0,0,0|3,0,0]=4 1532 B20R2.21885 OCCCNC(c1ccccc1)c2ccccc2F 270004a_100000182051_100011217773 [0,1,0,0,0,0|3,0,0]=4 1533 B20R2.21885 OCCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000230001 [0,1,0,0,0,0|2,0,0]=3 1534 B20R2.21885 OCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011215043 [0,1,0,0,0,0|2,0,0]=3 1535 B20R3.250 CC1CCN1C(c2ccccc2)c3ccccc3 269982a_100000755817_100000211591 [0,0,0,1,0,0|2,0,0]=3 1536 B20R3.2741 C1=CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100015195280_100000211591 [0,0,0,1,0,0|2,0,1]=4 1537 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCCC3 2230a_100000188435_100000211591 [0,0,0,1,0,0|2,0,0]=3 1538 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCCC3 269982a_100000188435_100000211591 [0,0,0,1,0,0|2,0,0]=3 1539 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100000210122 [0,0,0,1,0,0|2,0,0]=3 1540 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCSC3 2230a_100011215254_100000211591 [0,0,0,1,0,0|2,0,0]=3 1541 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCSC3 269982a_100011215254_100000211591 [0,0,0,1,0,0|2,0,0]=3 1542 B20R3.2741 c1ccc(cc1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100000210122 [0,0,0,1,0,0|2,0,0]=3 1543 B20R3.2741 c1ccc(cc1)C(c2ccccn2)N3CCCC3 270004a_100000188435_100000210380 [0,0,0,1,0,0|3,0,0]=4 1544 B20R3.2741 c1ccc(cc1)C(c2ccccn2)N3CCSC3 270004a_100011215254_100000210380 [0,0,0,1,0,0|3,0,0]=4 1545 B20R3.2741 c1ccc(cc1)C(c2cccnc2)N3CCCC3 270004a_100000188435_100000735413 [0,0,0,1,0,0|3,0,0]=4 1546 B20R3.2741 c1ccc(cc1)C(c2cccnc2)N3CCSC3 270004a_100011215254_100000735413 [0,0,0,1,0,0|3,0,0]=4 1547 B20R3.7898 F[C@@H]1C[C@H]1NC(c2ccccc2)c3ccccc3 2230a_100025746932_100000211591 [0,0,0,1,0,0|3,0,0]=4 1548 B20R3.7898 F[C@H]1C[C@H]1NC(c2ccccc2)c3ccccc3 2230a_100015190264_100000211591 [0,0,0,1,0,0|3,0,0]=4 1549 B20R3.30135 c1ccc(cc1)C(CNC2CC2)c3ccccc3 34a_100000739227_100000211595 [0,0,0,1,0,0|3,0,0]=4 1550 B20R3.30135 c1ccc(cc1)C(COC2CC2)c3ccccc3 34a_100011215272_100000211595 [0,0,0,1,0,0|3,0,0]=4 1551 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000162943_100000742324 [0,0,0,1,0,0|2,0,0]=3 1552 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000735609_100000211591 [0,0,0,1,0,0|2,0,0]=3 1553 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000162943_100000741477 [0,0,0,1,0,0|2,0,0]=3 1554 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000210122 [0,0,0,1,0,0|2,0,0]=3 1555 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000162943_100000742324 [0,0,0,1,0,0|2,0,0]=3 1556 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 2230a_100000689936_100000742324 [0,0,0,1,0,0|3,0,0]=4 1557 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 269862a_100000689936_100000741477 [0,0,0,1,0,0|3,0,0]=4 1558 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000210380 [0,0,0,1,0,0|3,0,0]=4 1559 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3cccnc3 2230a_100011232609_100000742324 [0,0,0,1,0,0|3,0,0]=4 1560 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3cccnc3 270004a_100000735609_100000735413 [0,0,0,1,0,0|3,0,0]=4 1561 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccncc3 2230a_100025760769_100000742324 [0,0,0,1,0,0|3,0,0]=4 1562 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccncc3 269862a_100025760769_100000741477 [0,0,0,1,0,0|3,0,0]=4 1563 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccccc3 2230a_100000162943_100011216344 [0,0,0,1,0,0|2,0,0]=3 1564 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000162943_102125554688 [0,0,0,1,0,0|2,0,0]=3 1565 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccccn3 2230a_100000689936_100011216344 [0,0,0,1,0,0|3,0,0]=4 1566 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3cccnc3 2230a_100011232609_100011216344 [0,0,0,1,0,0|3,0,0]=4 1567 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccncc3 2230a_100025760769_100011216344 [0,0,0,1,0,0|3,0,0]=4 1568 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100000211180_100000742324 [0,0,0,1,0,0|1,0,0]=2 1569 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100000211180_100000742324 [0,0,0,1,0,0|1,0,0]=2 1570 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccn3 7a_100000180852_100000742324 [0,0,0,1,0,0|2,0,0]=3 1571 B20R3.30135 c1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_100000211180_102125554688 [0,0,0,1,0,0|1,0,0]=2 1572 B20R3.30135 c1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_100000211180_102125554688 [0,0,0,1,0,0|1,0,0]=2 1573 B20R3.30135 c1ccc(cc1)C(OCC2CO2)c3ccccn3 7a_100000180852_102125554688 [0,0,0,1,0,0|2,0,0]=3 1574 B20R3.30135 c1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_100000211180_100000031435 [0,0,0,1,0,0|1,0,0]=2 1575 B20R3.30135 c1ccc(cc1)C(OCC2CS2)c3ccccn3 7a_100000180852_100000031435 [0,0,0,1,0,0|2,0,0]=3 1576 B20R3.30135 c1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_100000211180_100000745022 [0,0,0,1,0,0|1,0,0]=2 1577 B20R3.30135 c1ccc(cc1)C(OC[C@@H]2CO2)c3ccccn3 7a_100000180852_100000745022 [0,0,0,1,0,0|2,0,0]=3 1578 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000211591_100000742324 [0,0,0,1,0,0|1,1,0]=3 1579 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000756562_100011216954 [0,0,0,1,0,0|1,1,0]=3 1580 B20R3.30135 c1ccc(cc1)C(SCC2CO2)c3ccccc3 62a_100000211591_102125554688 [0,0,0,1,0,0|1,1,0]=3 1581 B20R3.30135 c1ccc(cc1)C(SCC2CO2)c3ccccc3 62a_102125554688_100011216954 [0,0,0,1,0,0|1,1,0]=3 1582 B20R3.30135 c1ccc(cc1)C(SCC2CS2)c3ccccc3 62a_100000031435_100011216954 [0,0,0,1,0,0|1,1,0]=3 1583 B20R3.30135 c1ccc(cc1)C(SCC2CS2)c3ccccc3 62a_100000211591_100000031435 [0,0,0,1,0,0|1,1,0]=3 1584 B20R3.30135 c1ccc(cc1)C(SC[C@@H]2CO2)c3ccccc3 62a_100000211591_100000745022 [0,0,0,1,0,0|1,1,0]=3 1585 B20R3.30135 c1ccc(cc1)C(SC[C@@H]2CO2)c3ccccc3 62a_100000745022_100011216954 [0,0,0,1,0,0|1,1,0]=3 1586 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3ccccc3 2230a_100000749019_100000211591 [0,0,0,1,0,0|2,0,0]=3 1587 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000162943_100000241760 [0,0,0,1,0,0|2,0,0]=3 1588 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000162943_100000749161 [0,0,0,1,0,0|2,0,0]=3 1589 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3ccccn3 270004a_100000689936_100000241760 [0,0,0,1,0,0|3,0,0]=4 1590 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3cccnc3 270004a_100011232609_100000241760 [0,0,0,1,0,0|3,0,0]=4 1591 B20R3.30231 c1ccc(cc1)C(NC2CCC2)c3ccncc3 270004a_100025760769_100000241760 [0,0,0,1,0,0|3,0,0]=4 1592 B20R3.30231 c1ccc(cc1)C(NC2COC2)c3ccccc3 2230a_100016991112_100000211591 [0,0,0,1,0,0|2,0,0]=3 1593 B20R3.30231 c1ccc(cc1)C(NC2COC2)c3ccccc3 270004a_100016991112_100000210122 [0,0,0,1,0,0|2,0,0]=3 1594 B20R3.30231 c1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000162943_100009818527 [0,0,0,1,0,0|2,0,0]=3 1595 B20R3.30231 c1ccc(cc1)C(NC2COC2)c3ccccn3 270004a_100016991112_100000210380 [0,0,0,1,0,0|3,0,0]=4 1596 B20R3.30231 c1ccc(cc1)C(NC2COC2)c3cccnc3 270004a_100016991112_100000735413 [0,0,0,1,0,0|3,0,0]=4 1597 B20R3.30231 c1ccc(cc1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100000210122 [0,0,0,1,0,0|2,0,0]=3 1598 B20R3.30231 c1ccc(cc1)C(NC2CSC2)c3ccccn3 270004a_100016994217_100000210380 [0,0,0,1,0,0|3,0,0]=4 1599 B20R3.30231 c1ccc(cc1)C(NC2CSC2)c3cccnc3 270004a_100016994217_100000735413 [0,0,0,1,0,0|3,0,0]=4 1600 B20R3.30231 c1ccc(cc1)C(OC2CCC2)c3ccccc3 34a_100000211180_100000749161 [0,0,0,1,0,0|1,0,0]=2 1601 B20R3.30231 c1ccc(cc1)C(OC2COC2)c3ccccc3 34a_100000211180_100009818527 [0,0,0,1,0,0|1,0,0]=2 1602 B20R3.30231 c1ccc(cc1)C(OC2COC2)c3ccccc3 7a_100000211180_100009818527 [0,0,0,1,0,0|1,0,0]=2 1603 B20R3.30231 c1ccc(cc1)C(OC2COC2)c3ccccn3 7a_100000180852_100009818527 [0,0,0,1,0,0|2,0,0]=3 1604 B20R3.30231 c1ccc(cc1)C(OC2CSC2)c3ccccc3 7a_100000072292_100011216954 [0,0,0,1,0,0|1,0,0]=2 1605 B20R3.30231 c1ccc(cc1)C(SC2COC2)c3ccccc3 62a_100000211591_100009818527 [0,0,0,1,0,0|1,1,0]=3 1606 B20R3.2040304 C#CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000688953 [0,0,0,1,0,0|2,0,1]=4 1607 B20R3.2040304 C#CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000688953 [0,0,0,1,0,0|1,0,1]=3 1608 B20R3.2040304 C#CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000688953 [0,0,0,1,0,0|1,1,1]=4 1609 B20R3.2040304 C/C=C/COC1c2ccccc2-c3c1cccc3 7a_100000211495_100102629194 [0,0,0,1,0,0|1,0,1]=3 1610 B20R3.2040304 C=CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000754431 [0,0,0,1,0,0|2,0,1]=4 1611 B20R3.2040304 C=CCCNC1c2ccccc2-c3c1cccc3 2230a_100015191253_100000211598 [0,0,0,1,0,0|2,0,1]=4 1612 B20R3.2040304 C=CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000754431 [0,0,0,1,0,0|1,0,1]=3 1613 B20R3.2040304 CC#CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000748600 [0,0,0,1,0,0|2,0,1]=4 1614 B20R3.2040304 CC#CCNC1c2ccccc2-c3c1cccc3 2230a_100000685387_100000211598 [0,0,0,1,0,0|2,0,1]=4 1615 B20R3.2040304 CC#CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000748600 [0,0,0,1,0,0|1,0,1]=3 1616 B20R3.2040304 CC#CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000748600 [0,0,0,1,0,0|1,1,1]=4 1617 B20R3.2040304 CC=CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000070051 [0,0,0,1,0,0|2,0,1]=4 1618 B20R3.2040304 CC=CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000070051 [0,0,0,1,0,0|1,0,1]=3 1619 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000102301_100000211598 [0,0,0,1,0,0|2,0,0]=3 1620 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210211 [0,0,0,1,0,0|2,0,0]=3 1621 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 7a_106832991798_100000211598 [0,0,0,1,0,0|2,0,0]=3 1622 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000210227_100000211598 [0,0,0,1,0,0|1,0,0]=2 1623 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210211 [0,0,0,1,0,0|1,0,0]=2 1624 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210303 [0,0,0,1,0,0|3,0,0]=4 1625 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210303 [0,0,0,1,0,0|3,0,0]=4 1626 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210303 [0,0,0,1,0,0|3,0,0]=4 1627 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210303 [0,0,0,1,0,0|3,0,0]=4 1628 B20R3.2040304 CCOCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000739092 [0,0,0,1,0,0|2,1,0]=4 1629 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011201679 [0,0,0,1,0,0|2,0,0]=3 1630 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000209980_100000211598 [0,0,0,1,0,0|2,0,0]=3 1631 B20R3.2040304 COCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000233755 [0,0,0,1,0,0|1,0,0]=2 1632 B20R3.2040304 COCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000233755 [0,0,0,1,0,0|1,1,0]=3 1633 B20R3.2040304 COCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000766300 [0,0,0,1,0,0|3,0,0]=4 1634 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000751147 [0,0,0,1,0,0|2,0,0]=3 1635 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100020590264_100000211598 [0,0,0,1,0,0|2,0,0]=3 1636 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000212216 [0,0,0,1,0,0|1,0,0]=2 1637 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000230434_100000211598 [0,0,0,1,0,0|1,0,0]=2 1638 B20R3.2040304 CSCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000751147 [0,0,0,1,0,0|1,1,0]=3 1639 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011218213 [0,0,0,1,0,0|3,0,0]=4 1640 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011218213 [0,0,0,1,0,0|3,0,0]=4 1641 B20R3.2040304 CSCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011218213 [0,0,0,1,0,0|3,0,0]=4 1642 B20R3.2040304 FCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011934791 [0,0,0,1,0,0|3,0,0]=4 1643 B20R3.2040304 FCCCNC1c2ccccc2-c3c1cccc3 2230a_100015189416_100000211598 [0,0,0,1,0,0|3,0,0]=4 1644 B20R3.2040304 FCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011934791 [0,0,0,1,0,0|2,0,0]=3 1645 B20R3.2040304 FCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011934791 [0,0,0,1,0,0|2,1,0]=4 1646 B20R3.2040304 N#CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011215226 [0,0,0,1,0,0|3,0,0]=4 1647 B20R3.2040304 N#CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000184422 [0,0,0,1,0,0|2,0,0]=3 1648 B20R3.2040304 N#CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011215226 [0,0,0,1,0,0|2,1,0]=4 1649 B20R3.2040304 OCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000230001 [0,0,0,1,0,0|3,0,0]=4 1650 B20R3.2040304 OCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215043 [0,0,0,1,0,0|2,0,0]=3 1651 B20R3.2040304 OCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011215043 [0,0,0,1,0,0|2,1,0]=4 1652 B18R2.2431 CCCCNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210211 [0,0,0,0,1,0|3,0,0]=4 1653 B18R2.2431 CCCCNC(c1ccccc1)c2ccco2 34a_100015185865_100000210210 [0,0,0,0,1,0|3,0,0]=4 1654 B18R2.2431 CCCCNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210211 [0,0,0,0,1,0|3,0,0]=4 1655 B18R2.2431 CCCCNC(c1ccccc1)c2cccs2 270004a_100000102301_100011214959 [0,0,0,0,1,0|3,0,0]=4 1656 B18R2.2431 CCCCNC(c1ccccc1)c2cccs2 34a_100025760362_100000210210 [0,0,0,0,1,0|3,0,0]=4 1657 B18R2.2431 CCCCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210211 [0,0,0,0,1,0|3,0,0]=4 1658 B18R2.2431 CCCCNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210210 [0,0,0,0,1,0|3,0,0]=4 1659 B18R2.2431 CCCCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210211 [0,0,0,0,1,0|3,0,0]=4 1660 B18R2.2431 COCCNC(c1ccccc1)c2ccco2 2230a_100015185865_100011201679 [0,0,0,0,1,0|3,0,0]=4 1661 B18R2.2431 COCCNC(c1ccccc1)c2ccco2 34a_100015185865_100011201679 [0,0,0,0,1,0|3,0,0]=4 1662 B18R2.2431 COCCNC(c1ccccc1)c2cccs2 2230a_100025760362_100011201679 [0,0,0,0,1,0|3,0,0]=4 1663 B18R2.2431 COCCNC(c1ccccc1)c2cccs2 270004a_100000209980_100011214959 [0,0,0,0,1,0|3,0,0]=4 1664 B18R2.2431 COCCNC(c1ccccc1)c2cccs2 34a_100025760362_100011201679 [0,0,0,0,1,0|3,0,0]=4 1665 B18R2.2431 COCCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100011201679 [0,0,0,0,1,0|3,0,0]=4 1666 B18R2.2431 COCCNC(c1ccccc1)c2ccoc2 34a_100102946537_100011201679 [0,0,0,0,1,0|3,0,0]=4 1667 B18R2.2431 COCCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000233755 [0,0,0,0,1,0|3,0,0]=4 1668 B18R2.2431 CSCCNC(c1ccccc1)c2ccco2 2230a_100015185865_100000751147 [0,0,0,0,1,0|3,0,0]=4 1669 B18R2.2431 CSCCNC(c1ccccc1)c2ccco2 34a_100015185865_100000212216 [0,0,0,0,1,0|3,0,0]=4 1670 B18R2.2431 CSCCNC(c1ccccc1)c2cccs2 2230a_100025760362_100000751147 [0,0,0,0,1,0|3,0,0]=4 1671 B18R2.2431 CSCCNC(c1ccccc1)c2cccs2 270004a_100020590264_100011214959 [0,0,0,0,1,0|3,0,0]=4 1672 B18R2.2431 CSCCNC(c1ccccc1)c2cccs2 34a_100025760362_100000212216 [0,0,0,0,1,0|3,0,0]=4 1673 B18R2.2431 CSCCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000751147 [0,0,0,0,1,0|3,0,0]=4 1674 B18R2.2431 CSCCNC(c1ccccc1)c2ccoc2 34a_100102946537_100000212216 [0,0,0,0,1,0|3,0,0]=4 1675 B18R2.2431 CSCCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000212216 [0,0,0,0,1,0|3,0,0]=4 1676 B20R2.447 C#CCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000688953 [0,0,0,0,0,1|2,0,1]=4 1677 B20R2.447 C#CCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000688953 [0,0,0,0,0,1|1,0,1]=3 1678 B20R2.447 C#CCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000688953 [0,0,0,0,0,1|1,0,1]=3 1679 B20R2.447 C/C=C/COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100102629194 [0,0,0,0,0,1|1,0,1]=3 1680 B20R2.447 C/C=C/COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100102629194 [0,0,0,0,0,1|1,0,1]=3 1681 B20R2.447 C=CCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000754431 [0,0,0,0,0,1|2,0,1]=4 1682 B20R2.447 C=CCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000754431 [0,0,0,0,0,1|1,0,1]=3 1683 B20R2.447 C=CCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000754431 [0,0,0,0,0,1|1,0,1]=3 1684 B20R2.447 CC#CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000748600 [0,0,0,0,0,1|2,0,1]=4 1685 B20R2.447 CC#CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000748600 [0,0,0,0,0,1|1,0,1]=3 1686 B20R2.447 CC#CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000748600 [0,0,0,0,0,1|1,0,1]=3 1687 B20R2.447 CC=CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000070051 [0,0,0,0,0,1|2,0,1]=4 1688 B20R2.447 CC=CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000070051 [0,0,0,0,0,1|1,0,1]=3 1689 B20R2.447 CC=CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000070051 [0,0,0,0,0,1|1,0,1]=3 1690 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210326 [0,0,0,0,0,1|3,0,0]=4 1691 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 2230a_200000219563_100015291786 [0,0,0,0,0,1|3,0,0]=4 1692 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000210215 [0,0,0,0,0,1|3,0,0]=4 1693 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 269982a_200000219563_100000211182 [0,0,0,0,0,1|3,0,0]=4 1694 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000718602 [0,0,0,0,0,1|3,0,0]=4 1695 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 34a_200000219563_100015291786 [0,0,0,0,0,1|3,0,0]=4 1696 B20R2.447 CCCCCN(Cc1ccccc1)c2ccccc2 7a_200000219563_100000211182 [0,0,0,0,0,1|3,0,0]=4 1697 B20R2.447 CCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210211 [0,0,0,0,0,1|2,0,0]=3 1698 B20R2.447 CCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210210 [0,0,0,0,0,1|1,0,0]=2 1699 B20R2.447 CCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210211 [0,0,0,0,0,1|1,0,0]=2 1700 B20R2.447 COCCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000740836 [0,0,0,0,0,1|3,0,0]=4 1701 B20R2.447 COCCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000740836 [0,0,0,0,0,1|3,0,0]=4 1702 B20R2.447 COCCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000740836 [0,0,0,0,0,1|3,0,0]=4 1703 B20R2.447 COCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011201679 [0,0,0,0,0,1|2,0,0]=3 1704 B20R2.447 COCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011201679 [0,0,0,0,0,1|1,0,0]=2 1705 B20R2.447 COCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000233755 [0,0,0,0,0,1|1,0,0]=2 1706 B20R2.447 CSCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000751147 [0,0,0,0,0,1|2,0,0]=3 1707 B20R2.447 CSCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000212216 [0,0,0,0,0,1|1,0,0]=2 1708 B20R2.447 CSCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000212216 [0,0,0,0,0,1|1,0,0]=2 1709 B20R2.447 FCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011934791 [0,0,0,0,0,1|3,0,0]=4 1710 B20R2.447 FCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011934791 [0,0,0,0,0,1|2,0,0]=3 1711 B20R2.447 FCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011934791 [0,0,0,0,0,1|2,0,0]=3 1712 B20R2.447 N#CCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011215226 [0,0,0,0,0,1|3,0,0]=4 1713 B20R2.447 N#CCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000184422 [0,0,0,0,0,1|2,0,0]=3 1714 B20R2.447 OCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000230001 [0,0,0,0,0,1|3,0,0]=4 1715 B20R2.447 OCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000230001 [0,0,0,0,0,1|2,0,0]=3 1716 B20R2.447 OCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011215043 [0,0,0,0,0,1|2,0,0]=3 1717 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210202 [2,0,0,0,0,0|1,0,0]=3 1718 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100015525214_100000211591 [2,0,0,0,0,0|1,0,0]=3 1719 B17R2.159 CCNC(c1ccccc1)c2ccccc2 270004a_100015525214_100000210122 [2,0,0,0,0,0|1,0,0]=3 1720 B17R2.159 CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210202 [2,0,0,0,0,0|1,0,0]=3 1721 B17R2.159 CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210202 [2,0,0,0,0,0|2,0,0]=4 1722 B17R2.159 CCNC(c1ccccc1)c2ccccn2 270004a_100015525214_100000210380 [2,0,0,0,0,0|2,0,0]=4 1723 B17R2.159 CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210202 [2,0,0,0,0,0|2,0,0]=4 1724 B17R2.159 CCNC(c1ccccc1)c2cccnc2 270004a_100015525214_100000735413 [2,0,0,0,0,0|2,0,0]=4 1725 B17R2.159 CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210202 [2,0,0,0,0,0|2,0,0]=4 1726 B17R2.159 CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210202 [2,0,0,0,0,0|0,0,0]=2 1727 B17R2.159 CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210202 [2,0,0,0,0,0|0,0,0]=2 1728 B17R2.159 CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210202 [2,0,0,0,0,0|1,0,0]=3 1729 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000210202_100011216954 [2,0,0,0,0,0|0,1,0]=3 1730 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210202 [2,0,0,0,0,0|0,1,0]=3 1731 B17R2.159 CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200000210301 [2,0,0,0,0,0|0,0,0]=2 1732 B17R2.159 CNCC(c1ccccc1)c2ccccc2 34a_100000739227_200000210301 [2,0,0,0,0,0|0,0,0]=2 1733 B17R2.159 COCC(c1ccccc1)c2ccccc2 34a_100011215272_200000210301 [2,0,0,0,0,0|1,0,0]=3 1734 B17R2.159 COCC(c1ccccc1)c2ccccc2 7a_100011215272_200000210301 [2,0,0,0,0,0|1,0,0]=3 1735 B17R2.159 FCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015361967 [2,0,0,0,0,0|2,0,0]=4 1736 B17R2.159 FCOC(c1ccccc1)c2ccccc2 34a_100000211180_100015361967 [2,0,0,0,0,0|1,0,0]=3 1737 B17R2.159 FCOC(c1ccccc1)c2ccccc2 7a_100000211180_100015361967 [2,0,0,0,0,0|1,0,0]=3 1738 B17R2.159 FCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015361967 [2,0,0,0,0,0|2,0,0]=4 1739 B17R2.159 FCSC(c1ccccc1)c2ccccc2 62a_100000211591_100015361967 [2,0,0,0,0,0|1,1,0]=4 1740 B17R2.159 FCSC(c1ccccc1)c2ccccc2 62a_100015361967_100011216954 [2,0,0,0,0,0|1,1,0]=4 1741 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200025704644 [2,0,0,0,0,0|0,0,0]=2 1742 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 34a_100000739227_200025704644 [2,0,0,0,0,0|0,0,0]=2 1743 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 34a_100011215272_200025704644 [2,0,0,0,0,0|1,0,0]=3 1744 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 7a_100011215272_200025704644 [2,0,0,0,0,0|1,0,0]=3 1745 B19R2.31 C#CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000184674 [1,1,0,0,0,0|0,0,2]=4 1746 B19R2.31 C#CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000038162 [1,1,0,0,0,0|0,0,2]=4 1747 B19R2.31 C#CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000184674 [1,1,0,0,0,0|0,0,2]=4 1748 B19R2.31 C#CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000038162 [1,1,0,0,0,0|0,0,2]=4 1749 B19R2.31 C=CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100015514636 [1,1,0,0,0,0|0,0,2]=4 1750 B19R2.31 C=CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100015514636 [1,1,0,0,0,0|0,0,2]=4 1751 B19R2.31 C=CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100015514636 [1,1,0,0,0,0|0,0,2]=4 1752 B19R2.31 C=CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100015514636 [1,1,0,0,0,0|0,0,2]=4 1753 B19R2.31 CCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020643023_100000688346 [1,1,0,0,0,0|2,0,0]=4 1754 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210303 [1,1,0,0,0,0|1,0,0]=3 1755 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100020643023_100011267660 [1,1,0,0,0,0|1,0,0]=3 1756 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210303 [1,1,0,0,0,0|1,0,0]=3 1757 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)C 270004a_100020643023_100011217825 [1,1,0,0,0,0|1,0,0]=3 1758 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210303 [1,1,0,0,0,0|1,0,0]=3 1759 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100020643023_100011215489 [1,1,0,0,0,0|1,0,0]=3 1760 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210303 [1,1,0,0,0,0|1,0,0]=3 1761 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210303 [1,1,0,0,0,0|1,0,0]=3 1762 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)F 270004a_100020643023_200011219850 [1,1,0,0,0,0|1,0,0]=3 1763 B19R2.31 CCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210303 [1,1,0,0,0,0|1,0,0]=3 1764 B19R2.31 CCCNC(c1ccccc1)c2cncc(c2)Br 270004a_100020643023_100011267668 [1,1,0,0,0,0|2,0,0]=4 1765 B19R2.31 CCCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100020643023_100000752423 [1,1,0,0,0,0|2,0,0]=4 1766 B19R2.31 CCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000210303 [1,1,0,0,0,0|0,0,0]=2 1767 B19R2.31 CCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000210303 [1,1,0,0,0,0|0,0,0]=2 1768 B19R2.31 CCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210303 [1,1,0,0,0,0|0,0,0]=2 1769 B19R2.31 CCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210303 [1,1,0,0,0,0|0,0,0]=2 1770 B19R2.31 COCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000766300 [1,1,0,0,0,0|2,0,0]=4 1771 B19R2.31 COCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000766300 [1,1,0,0,0,0|2,0,0]=4 1772 B19R2.31 COCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000766300 [1,1,0,0,0,0|2,0,0]=4 1773 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011218213 [1,1,0,0,0,0|2,0,0]=4 1774 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011218213 [1,1,0,0,0,0|2,0,0]=4 1775 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011218213 [1,1,0,0,0,0|2,0,0]=4 1776 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011218213 [1,1,0,0,0,0|2,0,0]=4 1777 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011218213 [1,1,0,0,0,0|2,0,0]=4 1778 B19R2.31 CSCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011218213 [1,1,0,0,0,0|2,0,0]=4 1779 B19R2.31 CSCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011218213 [1,1,0,0,0,0|1,0,0]=3 1780 B19R2.31 CSCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011218213 [1,1,0,0,0,0|1,0,0]=3 1781 B19R2.31 Cc1cccc(c1)C(NCCO)c2ccccc2 270004a_100000210304_100011217825 [1,1,0,0,0,0|2,0,0]=4 1782 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011217306 [1,1,0,0,0,0|2,0,0]=4 1783 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011217306 [1,1,0,0,0,0|2,0,0]=4 1784 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011217306 [1,1,0,0,0,0|2,0,0]=4 1785 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011217306 [1,1,0,0,0,0|2,0,0]=4 1786 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011217306 [1,1,0,0,0,0|2,0,0]=4 1787 B19R2.31 FCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011217306 [1,1,0,0,0,0|2,0,0]=4 1788 B19R2.31 FCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011217306 [1,1,0,0,0,0|1,0,0]=3 1789 B19R2.31 FCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011217306 [1,1,0,0,0,0|1,0,0]=3 1790 B19R2.31 FCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011217306 [1,1,0,0,0,0|1,0,0]=3 1791 B19R2.31 FCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011217306 [1,1,0,0,0,0|1,0,0]=3 1792 B19R2.31 N#CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011215382 [1,1,0,0,0,0|0,0,2]=4 1793 B19R2.31 N#CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011215382 [1,1,0,0,0,0|0,0,2]=4 1794 B19R2.31 O=CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_200009817547 [1,1,0,0,0,0|1,0,1]=4 1795 B19R2.31 O=CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_200015260668 [1,1,0,0,0,0|1,0,1]=4 1796 B19R2.31 O=CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_200009817547 [1,1,0,0,0,0|1,0,1]=4 1797 B19R2.31 O=CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_200015260668 [1,1,0,0,0,0|1,0,1]=4 1798 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000211926 [1,1,0,0,0,0|2,0,0]=4 1799 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210304_100011267660 [1,1,0,0,0,0|2,0,0]=4 1800 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000211926 [1,1,0,0,0,0|2,0,0]=4 1801 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000211926 [1,1,0,0,0,0|2,0,0]=4 1802 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210304_100011215489 [1,1,0,0,0,0|2,0,0]=4 1803 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000211926 [1,1,0,0,0,0|2,0,0]=4 1804 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000211926 [1,1,0,0,0,0|2,0,0]=4 1805 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000210304_200011219850 [1,1,0,0,0,0|2,0,0]=4 1806 B19R2.31 OCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000211926 [1,1,0,0,0,0|2,0,0]=4 1807 B19R2.31 OCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000211926 [1,1,0,0,0,0|1,0,0]=3 1808 B19R2.31 OCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000211926 [1,1,0,0,0,0|1,0,0]=3 1809 B19R2.31 OCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000211926 [1,1,0,0,0,0|1,0,0]=3 1810 B19R2.31 OCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000211926 [1,1,0,0,0,0|1,0,0]=3 1811 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000184674 [1,1,0,0,0,0|0,0,2]=4 1812 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000038162 [1,1,0,0,0,0|0,0,2]=4 1813 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000184674 [1,1,0,0,0,0|0,0,2]=4 1814 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000038162 [1,1,0,0,0,0|0,0,2]=4 1815 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000184674 [1,1,0,0,0,0|0,0,2]=4 1816 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000038162 [1,1,0,0,0,0|0,0,2]=4 1817 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000184674 [1,1,0,0,0,0|0,0,2]=4 1818 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000038162 [1,1,0,0,0,0|0,0,2]=4 1819 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000184674 [1,1,0,0,0,0|0,0,2]=4 1820 B19R2.34 C#CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000038162 [1,1,0,0,0,0|0,0,2]=4 1821 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100015514636 [1,1,0,0,0,0|0,0,2]=4 1822 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100015514636 [1,1,0,0,0,0|0,0,2]=4 1823 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100015514636 [1,1,0,0,0,0|0,0,2]=4 1824 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100015514636 [1,1,0,0,0,0|0,0,2]=4 1825 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100015514636 [1,1,0,0,0,0|0,0,2]=4 1826 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100015514636 [1,1,0,0,0,0|0,0,2]=4 1827 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100015514636 [1,1,0,0,0,0|0,0,2]=4 1828 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100015514636 [1,1,0,0,0,0|0,0,2]=4 1829 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100015514636 [1,1,0,0,0,0|0,0,2]=4 1830 B19R2.34 C=CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100015514636 [1,1,0,0,0,0|0,0,2]=4 1831 B19R2.34 CCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020643023_200010179208 [1,1,0,0,0,0|2,0,0]=4 1832 B19R2.34 CCCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100020643023_100000753996 [1,1,0,0,0,0|2,0,0]=4 1833 B19R2.34 CCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020643023_100000753647 [1,1,0,0,0,0|2,0,0]=4 1834 B19R2.34 CCCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100020643023_100000753233 [1,1,0,0,0,0|2,0,0]=4 1835 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210303 [1,1,0,0,0,0|1,0,0]=3 1836 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100020643023_100000718703 [1,1,0,0,0,0|1,0,0]=3 1837 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210303 [1,1,0,0,0,0|1,0,0]=3 1838 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000210303 [1,1,0,0,0,0|1,0,0]=3 1839 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100020643023_100000210966 [1,1,0,0,0,0|1,0,0]=3 1840 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000210303 [1,1,0,0,0,0|1,0,0]=3 1841 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210303 [1,1,0,0,0,0|1,0,0]=3 1842 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100020643023_100000211064 [1,1,0,0,0,0|1,0,0]=3 1843 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210303 [1,1,0,0,0,0|1,0,0]=3 1844 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210303 [1,1,0,0,0,0|1,0,0]=3 1845 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100020643023_100000210425 [1,1,0,0,0,0|1,0,0]=3 1846 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210303 [1,1,0,0,0,0|1,0,0]=3 1847 B19R2.34 CCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210303 [1,1,0,0,0,0|1,0,0]=3 1848 B19R2.34 CCCNC(c1ccncc1)c2ccc(cc2)C 34a_200015185284_100000210303 [1,1,0,0,0,0|2,0,0]=4 1849 B19R2.34 CCCNC(c1ccncc1)c2ccc(cc2)F 2230a_100000751741_100000210303 [1,1,0,0,0,0|2,0,0]=4 1850 B19R2.34 CCCNC(c1ccncc1)c2ccc(cc2)F 34a_100000751741_100000210303 [1,1,0,0,0,0|2,0,0]=4 1851 B19R2.34 CCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210303 [1,1,0,0,0,0|1,0,0]=3 1852 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000210303 [1,1,0,0,0,0|0,0,0]=2 1853 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000210303 [1,1,0,0,0,0|0,0,0]=2 1854 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000210303 [1,1,0,0,0,0|0,0,0]=2 1855 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000210303 [1,1,0,0,0,0|0,0,0]=2 1856 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000210303 [1,1,0,0,0,0|0,0,0]=2 1857 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000210303 [1,1,0,0,0,0|0,0,0]=2 1858 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210303 [1,1,0,0,0,0|0,0,0]=2 1859 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210303 [1,1,0,0,0,0|0,0,0]=2 1860 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210303 [1,1,0,0,0,0|0,0,0]=2 1861 B19R2.34 CCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210303 [1,1,0,0,0,0|0,0,0]=2 1862 B19R2.34 CCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000210303 [1,1,0,0,0,0|1,0,0]=3 1863 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210303_200010188304 [1,1,0,0,0,0|1,1,0]=4 1864 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210303 [1,1,0,0,0,0|1,1,0]=4 1865 B19R2.34 COCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000766300 [1,1,0,0,0,0|2,0,0]=4 1866 B19R2.34 COCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000766300 [1,1,0,0,0,0|2,0,0]=4 1867 B19R2.34 COCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000766300 [1,1,0,0,0,0|2,0,0]=4 1868 B19R2.34 COCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000766300 [1,1,0,0,0,0|2,0,0]=4 1869 B19R2.34 COCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000766300 [1,1,0,0,0,0|1,1,0]=4 1870 B19R2.34 COCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000766300_100000211669 [1,1,0,0,0,0|1,1,0]=4 1871 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011218213 [1,1,0,0,0,0|2,0,0]=4 1872 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011218213 [1,1,0,0,0,0|2,0,0]=4 1873 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100011218213 [1,1,0,0,0,0|2,0,0]=4 1874 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100011218213 [1,1,0,0,0,0|2,0,0]=4 1875 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011218213 [1,1,0,0,0,0|2,0,0]=4 1876 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011218213 [1,1,0,0,0,0|2,0,0]=4 1877 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011218213 [1,1,0,0,0,0|2,0,0]=4 1878 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011218213 [1,1,0,0,0,0|2,0,0]=4 1879 B19R2.34 CSCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100011218213 [1,1,0,0,0,0|2,0,0]=4 1880 B19R2.34 CSCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218213 [1,1,0,0,0,0|2,0,0]=4 1881 B19R2.34 CSCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011218213 [1,1,0,0,0,0|1,0,0]=3 1882 B19R2.34 CSCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100011218213 [1,1,0,0,0,0|1,0,0]=3 1883 B19R2.34 CSCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011218213 [1,1,0,0,0,0|1,0,0]=3 1884 B19R2.34 CSCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011218213 [1,1,0,0,0,0|1,0,0]=3 1885 B19R2.34 CSCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100011218213 [1,1,0,0,0,0|1,0,0]=3 1886 B19R2.34 CSCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011218213 [1,1,0,0,0,0|2,0,0]=4 1887 B19R2.34 Cc1ccc(cc1)C(NCCF)c2ccccc2 2230a_100000736602_100011217306 [1,1,0,0,0,0|2,0,0]=4 1888 B19R2.34 Cc1ccc(cc1)C(NCCF)c2ccccc2 34a_100000736602_100011217306 [1,1,0,0,0,0|2,0,0]=4 1889 B19R2.34 Cc1ccc(cc1)C(NCCO)c2ccccc2 2230a_100000736602_100000211926 [1,1,0,0,0,0|2,0,0]=4 1890 B19R2.34 Cc1ccc(cc1)C(NCCO)c2ccccc2 270004a_100000210304_100000210966 [1,1,0,0,0,0|2,0,0]=4 1891 B19R2.34 Cc1ccc(cc1)C(NCCO)c2ccccc2 34a_100000736602_100000211926 [1,1,0,0,0,0|2,0,0]=4 1892 B19R2.34 Cc1ccc(cc1)C(OCC#N)c2ccccc2 7a_100000212064_100011215382 [1,1,0,0,0,0|0,0,2]=4 1893 B19R2.34 Cc1ccc(cc1)C(OCC=O)c2ccccc2 34a_100000212064_200009817547 [1,1,0,0,0,0|1,0,1]=4 1894 B19R2.34 Cc1ccc(cc1)C(OCC=O)c2ccccc2 7a_100000212064_200015260668 [1,1,0,0,0,0|1,0,1]=4 1895 B19R2.34 Cc1ccc(cc1)C(OCCF)c2ccccc2 34a_100000212064_100011217306 [1,1,0,0,0,0|1,0,0]=3 1896 B19R2.34 Cc1ccc(cc1)C(OCCF)c2ccccc2 7a_100000212064_100011217306 [1,1,0,0,0,0|1,0,0]=3 1897 B19R2.34 Cc1ccc(cc1)C(OCCO)c2ccccc2 34a_100000212064_100000211926 [1,1,0,0,0,0|1,0,0]=3 1898 B19R2.34 Cc1ccc(cc1)C(OCCO)c2ccccc2 7a_100000212064_100000211926 [1,1,0,0,0,0|1,0,0]=3 1899 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011217306 [1,1,0,0,0,0|2,0,0]=4 1900 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011217306 [1,1,0,0,0,0|2,0,0]=4 1901 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011217306 [1,1,0,0,0,0|2,0,0]=4 1902 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011217306 [1,1,0,0,0,0|2,0,0]=4 1903 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011217306 [1,1,0,0,0,0|2,0,0]=4 1904 B19R2.34 FCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011217306 [1,1,0,0,0,0|2,0,0]=4 1905 B19R2.34 FCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011217306 [1,1,0,0,0,0|2,0,0]=4 1906 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011217306 [1,1,0,0,0,0|1,0,0]=3 1907 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011217306 [1,1,0,0,0,0|1,0,0]=3 1908 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011217306 [1,1,0,0,0,0|1,0,0]=3 1909 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011217306 [1,1,0,0,0,0|1,0,0]=3 1910 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011217306 [1,1,0,0,0,0|1,0,0]=3 1911 B19R2.34 FCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011217306 [1,1,0,0,0,0|1,0,0]=3 1912 B19R2.34 FCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011217306 [1,1,0,0,0,0|2,0,0]=4 1913 B19R2.34 N#CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011215382 [1,1,0,0,0,0|0,0,2]=4 1914 B19R2.34 N#CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011215382 [1,1,0,0,0,0|0,0,2]=4 1915 B19R2.34 N#CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011215382 [1,1,0,0,0,0|0,0,2]=4 1916 B19R2.34 N#CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100011215382 [1,1,0,0,0,0|0,0,2]=4 1917 B19R2.34 Nc1ccc(cc1)C(OCC=O)c2ccccc2 34a_100011236343_200009817547 [1,1,0,0,0,0|1,0,1]=4 1918 B19R2.34 Nc1ccc(cc1)C(OCC=O)c2ccccc2 7a_100011236343_200015260668 [1,1,0,0,0,0|1,0,1]=4 1919 B19R2.34 Nc1ccc(cc1)C(OCCF)c2ccccc2 34a_100011236343_100011217306 [1,1,0,0,0,0|1,0,0]=3 1920 B19R2.34 Nc1ccc(cc1)C(OCCF)c2ccccc2 7a_100011236343_100011217306 [1,1,0,0,0,0|1,0,0]=3 1921 B19R2.34 Nc1ccc(cc1)C(OCCO)c2ccccc2 34a_100011236343_100000211926 [1,1,0,0,0,0|1,0,0]=3 1922 B19R2.34 Nc1ccc(cc1)C(OCCO)c2ccccc2 7a_100011236343_100000211926 [1,1,0,0,0,0|1,0,0]=3 1923 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_200009817547 [1,1,0,0,0,0|1,0,1]=4 1924 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_200015260668 [1,1,0,0,0,0|1,0,1]=4 1925 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_200009817547 [1,1,0,0,0,0|1,0,1]=4 1926 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_200015260668 [1,1,0,0,0,0|1,0,1]=4 1927 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_200009817547 [1,1,0,0,0,0|1,0,1]=4 1928 B19R2.34 O=CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_200015260668 [1,1,0,0,0,0|1,0,1]=4 1929 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000211926 [1,1,0,0,0,0|2,0,0]=4 1930 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210304_100000718703 [1,1,0,0,0,0|2,0,0]=4 1931 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000211926 [1,1,0,0,0,0|2,0,0]=4 1932 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000211926 [1,1,0,0,0,0|2,0,0]=4 1933 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100016997473_100000211669 [1,1,0,0,0,0|2,0,0]=4 1934 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210304_100000211064 [1,1,0,0,0,0|2,0,0]=4 1935 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000211926 [1,1,0,0,0,0|2,0,0]=4 1936 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000211926 [1,1,0,0,0,0|2,0,0]=4 1937 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210304_100000210425 [1,1,0,0,0,0|2,0,0]=4 1938 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000211926 [1,1,0,0,0,0|2,0,0]=4 1939 B19R2.34 OCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000211926 [1,1,0,0,0,0|2,0,0]=4 1940 B19R2.34 OCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000211926 [1,1,0,0,0,0|2,0,0]=4 1941 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000211926 [1,1,0,0,0,0|1,0,0]=3 1942 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000211926 [1,1,0,0,0,0|1,0,0]=3 1943 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000211926 [1,1,0,0,0,0|1,0,0]=3 1944 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000211926 [1,1,0,0,0,0|1,0,0]=3 1945 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000211926 [1,1,0,0,0,0|1,0,0]=3 1946 B19R2.34 OCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000211926 [1,1,0,0,0,0|1,0,0]=3 1947 B19R2.34 OCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000211926 [1,1,0,0,0,0|2,0,0]=4 1948 B19R2.34 OCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000211926 [1,1,0,0,0,0|1,1,0]=4 1949 B19R2.34 OCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211926_100000211669 [1,1,0,0,0,0|1,1,0]=4 1950 B19R2.34 Oc1ccc(cc1)C(NCCF)c2ccccc2 34a_100000198503_100011217306 [1,1,0,0,0,0|2,0,0]=4 1951 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000184674 [1,1,0,0,0,0|0,0,2]=4 1952 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000038162 [1,1,0,0,0,0|0,0,2]=4 1953 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000184674 [1,1,0,0,0,0|0,0,2]=4 1954 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000038162 [1,1,0,0,0,0|0,0,2]=4 1955 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000184674 [1,1,0,0,0,0|0,0,2]=4 1956 B19R2.4625 C#CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000038162 [1,1,0,0,0,0|0,0,2]=4 1957 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100015514636 [1,1,0,0,0,0|0,0,2]=4 1958 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100015514636 [1,1,0,0,0,0|0,0,2]=4 1959 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100015514636 [1,1,0,0,0,0|0,0,2]=4 1960 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100015514636 [1,1,0,0,0,0|0,0,2]=4 1961 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100015514636 [1,1,0,0,0,0|0,0,2]=4 1962 B19R2.4625 C=CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100015514636 [1,1,0,0,0,0|0,0,2]=4 1963 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210303 [1,1,0,0,0,0|1,0,0]=3 1964 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2Br 270004a_100020643023_100000198044 [1,1,0,0,0,0|1,0,0]=3 1965 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210303 [1,1,0,0,0,0|1,0,0]=3 1966 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000210303 [1,1,0,0,0,0|1,0,0]=3 1967 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2C 270004a_100020643023_100000735561 [1,1,0,0,0,0|1,0,0]=3 1968 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000210303 [1,1,0,0,0,0|1,0,0]=3 1969 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2Cl 270004a_100020643023_100011215288 [1,1,0,0,0,0|1,0,0]=3 1970 B19R2.4625 CCCNC(c1ccccc1)c2ccccc2F 270004a_100020643023_100011217773 [1,1,0,0,0,0|1,0,0]=3 1971 B19R2.4625 CCCNC(c1ccccn1)c2ccccc2Cl 270004a_100020643023_100011400554 [1,1,0,0,0,0|2,0,0]=4 1972 B19R2.4625 CCCNC(c1cccnc1)c2ccccc2Br 270004a_100020643023_100011532686 [1,1,0,0,0,0|2,0,0]=4 1973 B19R2.4625 CCCNC(c1cccnc1)c2ccccc2Cl 270004a_100020643023_200011400555 [1,1,0,0,0,0|2,0,0]=4 1974 B19R2.4625 CCCNC(c1ccncc1)c2ccccc2C 2230a_100015184055_100000210303 [1,1,0,0,0,0|2,0,0]=4 1975 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000210303 [1,1,0,0,0,0|0,0,0]=2 1976 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000210303 [1,1,0,0,0,0|0,0,0]=2 1977 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000210303 [1,1,0,0,0,0|0,0,0]=2 1978 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000210303 [1,1,0,0,0,0|0,0,0]=2 1979 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210303 [1,1,0,0,0,0|0,0,0]=2 1980 B19R2.4625 CCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210303 [1,1,0,0,0,0|0,0,0]=2 1981 B19R2.4625 COCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000766300 [1,1,0,0,0,0|2,0,0]=4 1982 B19R2.4625 COCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000766300 [1,1,0,0,0,0|2,0,0]=4 1983 B19R2.4625 COCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000766300 [1,1,0,0,0,0|1,1,0]=4 1984 B19R2.4625 COCSC(c1ccccc1)c2ccccc2C 62a_100000766300_100000230135 [1,1,0,0,0,0|1,1,0]=4 1985 B19R2.4625 CSCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011218213 [1,1,0,0,0,0|2,0,0]=4 1986 B19R2.4625 CSCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011218213 [1,1,0,0,0,0|2,0,0]=4 1987 B19R2.4625 CSCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100011218213 [1,1,0,0,0,0|2,0,0]=4 1988 B19R2.4625 CSCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100011218213 [1,1,0,0,0,0|2,0,0]=4 1989 B19R2.4625 CSCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100011218213 [1,1,0,0,0,0|1,0,0]=3 1990 B19R2.4625 CSCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011218213 [1,1,0,0,0,0|1,0,0]=3 1991 B19R2.4625 CSCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100011218213 [1,1,0,0,0,0|1,0,0]=3 1992 B19R2.4625 Cc1ccccc1C(NCCF)c2ccccc2 2230a_100000222801_100011217306 [1,1,0,0,0,0|2,0,0]=4 1993 B19R2.4625 Cc1ccccc1C(NCCF)c2ccccc2 34a_100000222801_100011217306 [1,1,0,0,0,0|2,0,0]=4 1994 B19R2.4625 Cc1ccccc1C(NCCO)c2ccccc2 2230a_100000222801_100000211926 [1,1,0,0,0,0|2,0,0]=4 1995 B19R2.4625 Cc1ccccc1C(NCCO)c2ccccc2 2230a_100016997473_100000230135 [1,1,0,0,0,0|2,0,0]=4 1996 B19R2.4625 Cc1ccccc1C(NCCO)c2ccccc2 270004a_100000210304_100000735561 [1,1,0,0,0,0|2,0,0]=4 1997 B19R2.4625 Cc1ccccc1C(NCCO)c2ccccc2 34a_100000222801_100000211926 [1,1,0,0,0,0|2,0,0]=4 1998 B19R2.4625 Cc1ccccc1C(OCC#N)c2ccccc2 7a_100000212071_100011215382 [1,1,0,0,0,0|0,0,2]=4 1999 B19R2.4625 Cc1ccccc1C(OCC=O)c2ccccc2 34a_100000212071_200009817547 [1,1,0,0,0,0|1,0,1]=4 2000 B19R2.4625 Cc1ccccc1C(OCC=O)c2ccccc2 7a_100000212071_200015260668 [1,1,0,0,0,0|1,0,1]=4 2001 B19R2.4625 Cc1ccccc1C(OCCF)c2ccccc2 34a_100000212071_100011217306 [1,1,0,0,0,0|1,0,0]=3 2002 B19R2.4625 Cc1ccccc1C(OCCF)c2ccccc2 7a_100000212071_100011217306 [1,1,0,0,0,0|1,0,0]=3 2003 B19R2.4625 Cc1ccccc1C(OCCO)c2ccccc2 34a_100000212071_100000211926 [1,1,0,0,0,0|1,0,0]=3 2004 B19R2.4625 Cc1ccccc1C(OCCO)c2ccccc2 7a_100000212071_100000211926 [1,1,0,0,0,0|1,0,0]=3 2005 B19R2.4625 Cc1ccccc1C(SCCF)c2ccccc2 62a_100000230135_100011217306 [1,1,0,0,0,0|1,1,0]=4 2006 B19R2.4625 Cc1ccccc1C(SCCF)c2ccccc2 62a_100011217306_100000230135 [1,1,0,0,0,0|1,1,0]=4 2007 B19R2.4625 Cc1ccccc1C(SCCO)c2ccccc2 62a_100000211926_100000230135 [1,1,0,0,0,0|1,1,0]=4 2008 B19R2.4625 Cc1ccccc1C(SCCO)c2ccccc2 62a_100000230135_100000211926 [1,1,0,0,0,0|1,1,0]=4 2009 B19R2.4625 FCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011217306 [1,1,0,0,0,0|2,0,0]=4 2010 B19R2.4625 FCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011217306 [1,1,0,0,0,0|2,0,0]=4 2011 B19R2.4625 FCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011217306 [1,1,0,0,0,0|1,0,0]=3 2012 B19R2.4625 FCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011217306 [1,1,0,0,0,0|1,0,0]=3 2013 B19R2.4625 N#CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011215382 [1,1,0,0,0,0|0,0,2]=4 2014 B19R2.4625 N#CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100011215382 [1,1,0,0,0,0|0,0,2]=4 2015 B19R2.4625 Nc1ccccc1C(OCC=O)c2ccccc2 34a_100000246470_200009817547 [1,1,0,0,0,0|1,0,1]=4 2016 B19R2.4625 Nc1ccccc1C(OCC=O)c2ccccc2 7a_100000246470_200015260668 [1,1,0,0,0,0|1,0,1]=4 2017 B19R2.4625 Nc1ccccc1C(OCCF)c2ccccc2 34a_100000246470_100011217306 [1,1,0,0,0,0|1,0,0]=3 2018 B19R2.4625 Nc1ccccc1C(OCCF)c2ccccc2 7a_100000246470_100011217306 [1,1,0,0,0,0|1,0,0]=3 2019 B19R2.4625 Nc1ccccc1C(OCCO)c2ccccc2 34a_100000246470_100000211926 [1,1,0,0,0,0|1,0,0]=3 2020 B19R2.4625 Nc1ccccc1C(OCCO)c2ccccc2 7a_100000246470_100000211926 [1,1,0,0,0,0|1,0,0]=3 2021 B19R2.4625 O=CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_200009817547 [1,1,0,0,0,0|1,0,1]=4 2022 B19R2.4625 O=CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_200015260668 [1,1,0,0,0,0|1,0,1]=4 2023 B19R2.4625 OCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000211926 [1,1,0,0,0,0|2,0,0]=4 2024 B19R2.4625 OCCNC(c1ccccc1)c2ccccc2Br 270004a_100000210304_100000198044 [1,1,0,0,0,0|2,0,0]=4 2025 B19R2.4625 OCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000211926 [1,1,0,0,0,0|2,0,0]=4 2026 B19R2.4625 OCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000210304_100011215288 [1,1,0,0,0,0|2,0,0]=4 2027 B19R2.4625 OCCNC(c1ccccc1)c2ccccc2F 270004a_100000210304_100011217773 [1,1,0,0,0,0|2,0,0]=4 2028 B19R2.4625 OCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000211926 [1,1,0,0,0,0|1,0,0]=3 2029 B19R2.4625 OCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000211926 [1,1,0,0,0,0|1,0,0]=3 2030 B19R2.9813 CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210303 [1,1,0,0,0,0|1,0,0]=3 2031 B19R2.9813 CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000211992_100011216954 [1,1,0,0,0,0|1,0,0]=3 2032 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000747261_100000211591 [1,1,0,0,0,0|1,0,0]=3 2033 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210303 [1,1,0,0,0,0|1,0,0]=3 2034 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000747261_100000211591 [1,1,0,0,0,0|1,0,0]=3 2035 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210303 [1,1,0,0,0,0|1,0,0]=3 2036 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000747261_100000210122 [1,1,0,0,0,0|1,0,0]=3 2037 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000747261_100000210380 [1,1,0,0,0,0|2,0,0]=4 2038 B19R2.9813 CCCN(C)C(c1ccccc1)c2cccnc2 270004a_100000747261_100000735413 [1,1,0,0,0,0|2,0,0]=4 2039 B19R2.9813 CCNC(=O)C(c1ccccc1)c2ccccc2 11a_100015525214_100000210944 [1,1,0,0,0,0|2,0,0]=4 2040 B19R2.9813 CCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100015525214_100000210944 [1,1,0,0,0,0|2,0,0]=4 2041 B19R2.9813 CCNC(=O)C(c1ccccc1)c2ccccc2 527a_100015525214_100000210944 [1,1,0,0,0,0|2,0,0]=4 2042 B19R2.9813 CN(CCF)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011217306 [1,1,0,0,0,0|2,0,0]=4 2043 B19R2.9813 CN(CCF)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011217306 [1,1,0,0,0,0|2,0,0]=4 2044 B19R2.9813 CN(CCO)C(c1ccccc1)c2ccccc2 2230a_100000210263_100000211591 [1,1,0,0,0,0|2,0,0]=4 2045 B19R2.9813 CN(CCO)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000211926 [1,1,0,0,0,0|2,0,0]=4 2046 B19R2.9813 CN(CCO)C(c1ccccc1)c2ccccc2 269982a_100000210263_100000211591 [1,1,0,0,0,0|2,0,0]=4 2047 B19R2.9813 CN(CCO)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000211926 [1,1,0,0,0,0|2,0,0]=4 2048 B19R2.9813 CN(CCO)C(c1ccccc1)c2ccccc2 270004a_100000210263_100000210122 [1,1,0,0,0,0|2,0,0]=4 2049 B19R2.9813 CNCC(=O)N(c1ccccc1)c2ccccc2 2230a_100015202596_200000210301 [1,1,0,0,0,0|1,0,1]=4 2050 B19R2.9813 CNCC(=O)N(c1ccccc1)c2ccccc2 2230a_106832991635_200015198546 [1,1,0,0,0,0|1,0,1]=4 2051 B19R2.9813 CNCC(=O)N(c1ccccc1)c2ccccc2 7a_106832991635_200015198546 [1,1,0,0,0,0|1,0,1]=4 2052 B19R2.9813 CNNC(=O)C(c1ccccc1)c2ccccc2 22a_100016993582_100000210944 [1,1,0,0,0,0|1,0,1]=4 2053 B19R2.9813 COCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210968_100011216954 [1,1,0,0,0,0|1,0,1]=4 2054 B19R2.9813 COCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000766300 [1,1,0,0,0,0|2,0,0]=4 2055 B19R2.9813 COCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000766300 [1,1,0,0,0,0|2,0,0]=4 2056 B19R2.9813 CSCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000184570_100011216954 [1,1,0,0,0,0|1,0,1]=4 2057 B19R2.9813 CSCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011218213 [1,1,0,0,0,0|2,0,0]=4 2058 B19R2.9813 CSCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011218213 [1,1,0,0,0,0|2,0,0]=4 2059 B19R2.9813 O=C(CCF)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011217306 [1,1,0,0,0,0|2,0,0]=4 2060 B19R2.9813 O=C(CCO)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000211926 [1,1,0,0,0,0|2,0,0]=4 2061 B19R2.9813 O=C(CCO)C(c1ccccc1)c2ccccc2 1458a_100011216618_100011216954 [1,1,0,0,0,0|2,0,0]=4 2062 B19R2.9813 [13CH3]NCC(=O)N(c1ccccc1)c2ccccc2 2230a_100015202596_200025704644 [1,1,0,0,0,0|1,0,1]=4 2063 B19R2.12918 C#CC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_200000035995 [1,1,0,0,0,0|0,0,2]=4 2064 B19R2.12918 C#C[C@@H](C)OC(c1ccccc1)c2ccccc2 7a_100009815206_100011216954 [1,1,0,0,0,0|0,0,2]=4 2065 B19R2.12918 CC(C#N)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000703298 [1,1,0,0,0,0|0,0,2]=4 2066 B19R2.12918 CC(CF)OC(c1ccccc1)c2ccccc2 7a_100016041109_100011216954 [1,1,0,0,0,0|1,0,0]=3 2067 B19R2.12918 CC(CO)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100012180447 [1,1,0,0,0,0|2,0,0]=4 2068 B19R2.12918 CC(CO)NC(c1ccccc1)c2ccccc2 34a_100000162943_100012180447 [1,1,0,0,0,0|2,0,0]=4 2069 B19R2.12918 CC(CO)OC(c1ccccc1)c2ccccc2 34a_100000211180_100012180447 [1,1,0,0,0,0|1,0,0]=3 2070 B19R2.12918 CC(CO)OC(c1ccccc1)c2ccccc2 7a_100000211180_100012180447 [1,1,0,0,0,0|1,0,0]=3 2071 B19R2.12918 CC(CO)OC(c1ccccc1)c2ccccn2 7a_100000180852_100012180447 [1,1,0,0,0,0|2,0,0]=4 2072 B19R2.12918 CC(CO)SC(c1ccccc1)c2ccccc2 62a_100012180447_100011216954 [1,1,0,0,0,0|1,1,0]=4 2073 B19R2.12918 CCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210202 [1,1,0,0,0,0|1,0,1]=4 2074 B19R2.12918 CCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000210414 [1,1,0,0,0,0|1,0,1]=4 2075 B19R2.12918 CCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000210414 [1,1,0,0,0,0|1,0,1]=4 2076 B19R2.12918 CCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000210414 [1,1,0,0,0,0|1,0,1]=4 2077 B19R2.12918 CCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000210414 [1,1,0,0,0,0|1,0,1]=4 2078 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000758301 [1,1,0,0,0,0|1,0,0]=3 2079 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000209981_100000211591 [1,1,0,0,0,0|1,0,0]=3 2080 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000209981_100000210122 [1,1,0,0,0,0|1,0,0]=3 2081 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100011215416 [1,1,0,0,0,0|1,0,0]=3 2082 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000758301 [1,1,0,0,0,0|2,0,0]=4 2083 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000209981_100000210380 [1,1,0,0,0,0|2,0,0]=4 2084 B19R2.12918 CCC(C)NC(c1ccccc1)c2cccnc2 2230a_100011232609_100000758301 [1,1,0,0,0,0|2,0,0]=4 2085 B19R2.12918 CCC(C)NC(c1ccccc1)c2cccnc2 270004a_100000209981_100000735413 [1,1,0,0,0,0|2,0,0]=4 2086 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccncc2 2230a_100025760769_100000758301 [1,1,0,0,0,0|2,0,0]=4 2087 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100011215416 [1,1,0,0,0,0|0,0,0]=2 2088 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccc2 7a_100000210228_100011216954 [1,1,0,0,0,0|0,0,0]=2 2089 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000758301 [1,1,0,0,0,0|0,0,0]=2 2090 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000758301 [1,1,0,0,0,0|1,0,0]=3 2091 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 11a_106832991635_100000499737 [1,1,0,0,0,0|0,0,1]=3 2092 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100102657272_100000499737 [1,1,0,0,0,0|0,0,1]=3 2093 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100102657272_100000499737 [1,1,0,0,0,0|0,0,1]=3 2094 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 527a_100102657272_100000499737 [1,1,0,0,0,0|0,0,1]=3 2095 B19R2.12918 CNC(=O)CP(c1ccccc1)c2ccccc2 11a_106832991635_200020607205 [1,1,0,0,0,0|1,0,1]=4 2096 B19R2.12918 CNC(=O)CP(c1ccccc1)c2ccccc2 1626a_100102657272_200020607205 [1,1,0,0,0,0|1,0,1]=4 2097 B19R2.12918 CNC(=O)CP(c1ccccc1)c2ccccc2 240690a_100102657272_200020607205 [1,1,0,0,0,0|1,0,1]=4 2098 B19R2.12918 CNC(=O)CP(c1ccccc1)c2ccccc2 527a_100102657272_200020607205 [1,1,0,0,0,0|1,0,1]=4 2099 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccc2 2708a_100102657272_100000162943 [1,1,0,0,0,0|1,0,1]=4 2100 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccc2 273464a_100102657272_100000162943 [1,1,0,0,0,0|1,0,1]=4 2101 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccc2 512a_106832991638_100000162943 [1,1,0,0,0,0|1,0,1]=4 2102 B19R2.12918 CNC(C)CC(c1ccccc1)c2ccccc2 270004a_106832991635_200000011111 [1,1,0,0,0,0|0,0,0]=2 2103 B19R2.12918 COC(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009879195 [1,1,0,0,0,0|1,1,0]=4 2104 B19R2.12918 COC(C)SC(c1ccccc1)c2ccccc2 62a_100009879195_100011216954 [1,1,0,0,0,0|1,1,0]=4 2105 B19R2.12918 C[C@H](CF)NC(c1ccccc1)c2ccccc2 270004a_100102880703_100000210122 [1,1,0,0,0,0|2,0,0]=4 2106 B19R2.12918 C[C@H](CO)NC(c1ccccc1)c2ccccc2 2230a_100000737577_100000211591 [1,1,0,0,0,0|2,0,0]=4 2107 B19R2.12918 C[C@H](CO)NC(c1ccccc1)c2ccccc2 270004a_100000737577_100000210122 [1,1,0,0,0,0|2,0,0]=4 2108 B19R2.12918 C[C@H](CO)SC(c1ccccc1)c2ccccc2 62a_100000211591_100016084084 [1,1,0,0,0,0|1,1,0]=4 2109 B19R2.12918 C[C@H](CO)SC(c1ccccc1)c2ccccc2 62a_100016084084_100011216954 [1,1,0,0,0,0|1,1,0]=4 2110 B19R2.13225 C#CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000038162 [1,1,0,0,0,0|0,0,2]=4 2111 B19R2.13225 C=CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100015514636 [1,1,0,0,0,0|0,0,2]=4 2112 B19R2.13225 CC(OCC#N)(c1ccccc1)c2ccccc2 7a_100011202337_100011215382 [1,1,0,0,0,0|0,0,2]=4 2113 B19R2.13225 CC(OCC=O)(c1ccccc1)c2ccccc2 7a_100011202337_200015260668 [1,1,0,0,0,0|1,0,1]=4 2114 B19R2.13225 CC(OCCF)(c1ccccc1)c2ccccc2 7a_100011202337_100011217306 [1,1,0,0,0,0|1,0,0]=3 2115 B19R2.13225 CC(OCCF)(c1ccccc1)c2ccccn2 7a_200000075192_100011217306 [1,1,0,0,0,0|2,0,0]=4 2116 B19R2.13225 CC(OCCO)(c1ccccc1)c2ccccc2 7a_100011202337_100000211926 [1,1,0,0,0,0|1,0,0]=3 2117 B19R2.13225 CC(OCCO)(c1ccccc1)c2ccccn2 7a_200000075192_100000211926 [1,1,0,0,0,0|2,0,0]=4 2118 B19R2.13225 CCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000210303 [1,1,0,0,0,0|0,0,0]=2 2119 B19R2.13225 CCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210303 [1,1,0,0,0,0|1,0,0]=3 2120 B19R2.13225 CCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210202 [1,1,0,0,0,0|2,0,0]=4 2121 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748629 [1,1,0,0,0,0|1,0,1]=4 2122 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748629 [1,1,0,0,0,0|1,0,1]=4 2123 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748629 [1,1,0,0,0,0|0,0,1]=3 2124 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748629 [1,1,0,0,0,0|0,0,1]=3 2125 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748629 [1,1,0,0,0,0|1,0,1]=4 2126 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009893438 [1,1,0,0,0,0|0,0,2]=4 2127 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000042424 [1,1,0,0,0,0|0,0,2]=4 2128 B19R2.13577 CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000070787_100009813428 [1,1,0,0,0,0|1,0,0]=3 2129 B19R2.13577 CC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B19R2.13577 CC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000070787_100010140906 [1,1,0,0,0,0|2,0,0]=4 2131 B19R2.13577 CC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200000210301 [1,1,0,0,0,0|0,1,1]=4 2132 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100015343762 [1,1,0,0,0,0|2,0,0]=4 2133 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100015343762 [1,1,0,0,0,0|2,0,0]=4 2134 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100103153847 [1,1,0,0,0,0|2,0,0]=4 2135 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210760 [1,1,0,0,0,0|1,0,0]=3 2136 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000210953_100000211591 [1,1,0,0,0,0|1,0,0]=3 2137 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210432 [1,1,0,0,0,0|1,0,0]=3 2138 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000210953_100000210122 [1,1,0,0,0,0|1,0,0]=3 2139 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210624 [1,1,0,0,0,0|1,0,0]=3 2140 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210760 [1,1,0,0,0,0|2,0,0]=4 2141 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000210953_100000210380 [1,1,0,0,0,0|2,0,0]=4 2142 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000210432 [1,1,0,0,0,0|2,0,0]=4 2143 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210760 [1,1,0,0,0,0|2,0,0]=4 2144 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100000210953_100000735413 [1,1,0,0,0,0|2,0,0]=4 2145 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100011232609_100000210432 [1,1,0,0,0,0|2,0,0]=4 2146 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210760 [1,1,0,0,0,0|2,0,0]=4 2147 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 270004a_100025760769_100000210432 [1,1,0,0,0,0|2,0,0]=4 2148 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000210624 [1,1,0,0,0,0|0,0,0]=2 2149 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000210760 [1,1,0,0,0,0|0,0,0]=2 2150 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000210760 [1,1,0,0,0,0|1,0,0]=3 2151 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210206 [1,1,0,0,0,0|2,0,0]=4 2152 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210206 [1,1,0,0,0,0|2,0,0]=4 2153 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210206 [1,1,0,0,0,0|2,0,0]=4 2154 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210206 [1,1,0,0,0,0|2,0,0]=4 2155 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218427 [1,1,0,0,0,0|1,0,0]=3 2156 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000210904_100000211591 [1,1,0,0,0,0|1,0,0]=3 2157 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 270004a_100000210904_100000210122 [1,1,0,0,0,0|1,0,0]=3 2158 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218427 [1,1,0,0,0,0|1,0,0]=3 2159 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218427 [1,1,0,0,0,0|2,0,0]=4 2160 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 270004a_100000210904_100000210380 [1,1,0,0,0,0|2,0,0]=4 2161 B19R2.13577 CC(O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011218427 [1,1,0,0,0,0|2,0,0]=4 2162 B19R2.13577 CC(O)CNC(c1ccccc1)c2cccnc2 270004a_100000210904_100000735413 [1,1,0,0,0,0|2,0,0]=4 2163 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011218427 [1,1,0,0,0,0|2,0,0]=4 2164 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011218427 [1,1,0,0,0,0|0,0,0]=2 2165 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011218427 [1,1,0,0,0,0|0,0,0]=2 2166 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218427 [1,1,0,0,0,0|1,0,0]=3 2167 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218427 [1,1,0,0,0,0|0,1,0]=3 2168 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100011218427_100011216954 [1,1,0,0,0,0|0,1,0]=3 2169 B19R2.13577 CN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100102631434_100000050448 [1,1,0,0,0,0|0,0,2]=4 2170 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200000210301 [1,1,0,0,0,0|0,0,0]=2 2171 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100102631434_100009813428 [1,1,0,0,0,0|0,0,0]=2 2172 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200000210301 [1,1,0,0,0,0|0,0,0]=2 2173 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100102631434_100009813428 [1,1,0,0,0,0|0,0,0]=2 2174 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_200000210301 [1,1,0,0,0,0|0,0,0]=2 2175 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100102631434_100010140906 [1,1,0,0,0,0|1,0,0]=3 2176 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100102631434_100010140906 [1,1,0,0,0,0|1,0,0]=3 2177 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200025704644 [1,1,0,0,0,0|0,0,0]=2 2178 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200025704644 [1,1,0,0,0,0|0,0,0]=2 2179 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 34a_100025726140_200025704644 [1,1,0,0,0,0|0,0,0]=2 2180 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009817552 [1,1,0,0,0,0|1,0,0]=3 2181 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009817552 [1,1,0,0,0,0|1,0,0]=3 2182 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009817552 [1,1,0,0,0,0|2,0,0]=4 2183 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100009817552 [1,1,0,0,0,0|2,0,0]=4 2184 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100009817552 [1,1,0,0,0,0|2,0,0]=4 2185 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009817552 [1,1,0,0,0,0|0,0,0]=2 2186 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009817552 [1,1,0,0,0,0|0,0,0]=2 2187 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009817552 [1,1,0,0,0,0|1,0,0]=3 2188 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100009817552 [1,1,0,0,0,0|0,1,0]=3 2189 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100009817552_100011216954 [1,1,0,0,0,0|0,1,0]=3 2190 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011934356 [1,1,0,0,0,0|2,0,0]=4 2191 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccc2 270004a_100000765723_100000210122 [1,1,0,0,0,0|2,0,0]=4 2192 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011934356 [1,1,0,0,0,0|2,0,0]=4 2193 B19R2.13577 FC(F)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011934356 [1,1,0,0,0,0|1,0,0]=3 2194 B19R2.13577 FC(F)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011934356 [1,1,0,0,0,0|1,0,0]=3 2195 B19R2.13577 FC(F)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011934356 [1,1,0,0,0,0|2,0,0]=4 2196 B19R2.13577 FC(F)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011934356 [1,1,0,0,0,0|1,1,0]=4 2197 B19R2.13577 FC(F)CSC(c1ccccc1)c2ccccc2 62a_100011934356_100011216954 [1,1,0,0,0,0|1,1,0]=4 2198 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000747473 [1,1,0,0,0,0|1,0,1]=4 2199 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000711301_100000211591 [1,1,0,0,0,0|1,0,1]=4 2200 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000187820 [1,1,0,0,0,0|1,0,1]=4 2201 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000187820 [1,1,0,0,0,0|0,0,1]=3 2202 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000187820 [1,1,0,0,0,0|0,0,1]=3 2203 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000187820 [1,1,0,0,0,0|1,0,1]=4 2204 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747473 [1,1,0,0,0,0|0,1,1]=4 2205 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747473_100011216954 [1,1,0,0,0,0|0,1,1]=4 2206 B19R2.13577 O=C([O-])COC(c1ccccc1)c2ccccc2 34a_100000211180_100020667443 [1,1,0,0,0,0|1,0,1]=4 2207 B19R2.13577 O=[N+]([O-])COC(c1ccccc1)c2ccccc2 34a_100000211180_100000761209 [1,1,0,0,0,0|1,0,1]=4 2208 B19R2.13577 [13CH3]C(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200025704644 [1,1,0,0,0,0|2,0,0]=4 2209 B19R2.13577 [13CH3]C(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200025704644 [1,1,0,0,0,0|0,1,1]=4 2210 B19R2.2476 CCCCOC(c1ccc(cc1)N)c2cccs2 34a_200011934697_100000210210 [0,1,0,0,1,0|2,0,0]=4 2211 B19R2.2476 CCCCOC(c1ccc(cc1)N)c2cccs2 7a_200011934697_100000210211 [0,1,0,0,1,0|2,0,0]=4 2212 B19R2.2476 COCCOC(c1ccc(cc1)N)c2cccs2 34a_200011934697_100011201679 [0,1,0,0,1,0|2,0,0]=4 2213 B19R2.2476 COCCOC(c1ccc(cc1)N)c2cccs2 7a_200011934697_100000233755 [0,1,0,0,1,0|2,0,0]=4 2214 B19R2.2476 CSCCOC(c1ccc(cc1)N)c2cccs2 34a_200011934697_100000212216 [0,1,0,0,1,0|2,0,0]=4 2215 B19R2.2476 CSCCOC(c1ccc(cc1)N)c2cccs2 7a_200011934697_100000212216 [0,1,0,0,1,0|2,0,0]=4 2216 B19R2.8889 CN(C)CCNC(c1ccccc1)c2cccs2 270004a_100000210585_100011214959 [0,1,0,0,1,0|2,0,0]=4 2217 B19R2.8889 CN(C)CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000755713 [0,1,0,0,1,0|2,0,0]=4 2218 B19R2.16442 CCCCOC(c1cccc(c1)N)c2cccs2 34a_200011934845_100000210210 [0,1,0,0,1,0|2,0,0]=4 2219 B19R2.16442 CCCCOC(c1cccc(c1)N)c2cccs2 7a_200011934845_100000210211 [0,1,0,0,1,0|2,0,0]=4 2220 B19R2.16442 COCCOC(c1cccc(c1)N)c2cccs2 34a_200011934845_100011201679 [0,1,0,0,1,0|2,0,0]=4 2221 B19R2.16442 COCCOC(c1cccc(c1)N)c2cccs2 7a_200011934845_100000233755 [0,1,0,0,1,0|2,0,0]=4 2222 B19R2.16442 CSCCOC(c1cccc(c1)N)c2cccs2 34a_200011934845_100000212216 [0,1,0,0,1,0|2,0,0]=4 2223 B19R2.16442 CSCCOC(c1cccc(c1)N)c2cccs2 7a_200011934845_100000212216 [0,1,0,0,1,0|2,0,0]=4 2224 B19R3.2378 c1ccc(cc1)C(NC2CC2)c3ccccc3 34a_100000162943_100000211595 [1,0,0,1,0,0|1,0,0]=3 2225 B19R3.2378 c1ccc(cc1)C(OC2CC2)c3ccccc3 34a_100000211180_100000211595 [1,0,0,1,0,0|0,0,0]=2 2226 B19R3.2378 c1ccc(cc1)C(SC2CC2)c3ccccc3 62a_100000211591_100000211595 [1,0,0,1,0,0|0,1,0]=3 2227 B19R3.19319 c1ccc(cc1)C(c2ccccc2)N3CCC3 269982a_100000754969_100000211591 [1,0,0,1,0,0|1,0,0]=3 2228 B19R3.223646 C#CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000038162 [1,0,0,1,0,0|0,0,2]=4 2229 B19R3.223646 C=CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100015514636 [1,0,0,1,0,0|0,0,2]=4 2230 B19R3.223646 CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210303 [1,0,0,1,0,0|1,0,0]=3 2231 B19R3.223646 CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210303 [1,0,0,1,0,0|0,0,0]=2 2232 B19R3.223646 CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210303 [1,0,0,1,0,0|0,1,0]=3 2233 B19R3.223646 CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210202 [1,0,0,1,0,0|2,0,0]=4 2234 B19R3.223646 CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210202 [1,0,0,1,0,0|2,0,0]=4 2235 B19R3.223646 CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210202 [1,0,0,1,0,0|2,0,0]=4 2236 B19R3.223646 CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210202 [1,0,0,1,0,0|2,0,0]=4 2237 B19R3.223646 COCCn1c2ccccc2c3c1cccc3 34a_100000297428_200000210301 [1,0,0,1,0,0|2,0,0]=4 2238 B19R3.223646 COCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000766300 [1,0,0,1,0,0|2,0,0]=4 2239 B19R3.223646 COCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000766300 [1,0,0,1,0,0|1,1,0]=4 2240 B19R3.223646 CSCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011218213 [1,0,0,1,0,0|2,0,0]=4 2241 B19R3.223646 CSCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011218213 [1,0,0,1,0,0|1,1,0]=4 2242 B19R3.223646 FCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011217306 [1,0,0,1,0,0|2,0,0]=4 2243 B19R3.223646 FCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011217306 [1,0,0,1,0,0|1,0,0]=3 2244 B19R3.223646 FCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011217306 [1,0,0,1,0,0|1,1,0]=4 2245 B19R3.223646 N#CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215382 [1,0,0,1,0,0|0,0,2]=4 2246 B19R3.223646 O=CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200015260668 [1,0,0,1,0,0|1,0,1]=4 2247 B19R3.223646 OCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000211926 [1,0,0,1,0,0|2,0,0]=4 2248 B19R3.223646 OCCNC1c2ccccc2-c3c1cccc3 2230a_100016997473_100000211598 [1,0,0,1,0,0|2,0,0]=4 2249 B19R3.223646 OCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000211926 [1,0,0,1,0,0|1,0,0]=3 2250 B19R3.223646 OCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000211926 [1,0,0,1,0,0|1,1,0]=4 2251 B19R3.223646 [13CH3]OCCn1c2ccccc2c3c1cccc3 34a_100000297428_200025704644 [1,0,0,1,0,0|2,0,0]=4 2252 B21R3.47820 c1ccc(cc1)CC(NC2CCC2)c3ccccc3 270004a_100025772854_100000241760 [0,0,0,1,0,1|2,0,0]=4 2253 B21R3.47820 c1ccc(cc1)CC(OC2CCC2)c3ccccc3 34a_100000246494_100000749161 [0,0,0,1,0,1|1,0,0]=3 2254 B21R3.47820 c1ccc(cc1)CC(OC2COC2)c3ccccc3 34a_100000246494_100009818527 [0,0,0,1,0,1|1,0,0]=3 2255 B21R3.47820 c1ccc(cc1)CC(OC2COC2)c3ccccc3 7a_100000246494_100009818527 [0,0,0,1,0,1|1,0,0]=3 2256 B21R3.47890 c1ccc(cc1)CC(NCC2CC2)c3ccccc3 2230a_100025772854_100000742324 [0,0,0,1,0,1|2,0,0]=4 2257 B21R3.47890 c1ccc(cc1)CC(NCC2CC2)c3ccccc3 269862a_100025772854_100000741477 [0,0,0,1,0,1|2,0,0]=4 2258 B21R3.47890 c1ccc(cc1)CC(NCC2CO2)c3ccccc3 2230a_100025772854_100011216344 [0,0,0,1,0,1|2,0,0]=4 2259 B21R3.47890 c1ccc(cc1)CC(OCC2CC2)c3ccccc3 34a_100000246494_100000742324 [0,0,0,1,0,1|1,0,0]=3 2260 B21R3.47890 c1ccc(cc1)CC(OCC2CC2)c3ccccc3 7a_100000246494_100000742324 [0,0,0,1,0,1|1,0,0]=3 2261 B21R3.47890 c1ccc(cc1)CC(OCC2CO2)c3ccccc3 34a_100000246494_102125554688 [0,0,0,1,0,1|1,0,0]=3 2262 B21R3.47890 c1ccc(cc1)CC(OCC2CO2)c3ccccc3 7a_100000246494_102125554688 [0,0,0,1,0,1|1,0,0]=3 2263 B21R3.47890 c1ccc(cc1)CC(OCC2CS2)c3ccccc3 7a_100000246494_100000031435 [0,0,0,1,0,1|1,0,0]=3 2264 B21R3.47890 c1ccc(cc1)CC(OC[C@@H]2CO2)c3ccccc3 7a_100000246494_100000745022 [0,0,0,1,0,1|1,0,0]=3 2265 B21R3.2795518 COCCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100011201679 [0,0,0,1,0,1|1,0,1]=4 2266 B21R3.2795518 COCCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100000233755 [0,0,0,1,0,1|1,0,1]=4 2267 B21R3.2795518 CSCCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100000212216 [0,0,0,1,0,1|1,0,1]=4 2268 B21R3.2795518 CSCCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100000212216 [0,0,0,1,0,1|1,0,1]=4 2269 B21R3.21601 Brc1cccc(c1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100011267660 [0,1,0,1,0,0|2,0,0]=4 2270 B21R3.21601 Brc1cccc(c1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100011267660 [0,1,0,1,0,0|2,0,0]=4 2271 B21R3.21601 Cc1cccc(c1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100011217825 [0,1,0,1,0,0|2,0,0]=4 2272 B21R3.21601 Cc1cccc(c1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100011217825 [0,1,0,1,0,0|2,0,0]=4 2273 B21R3.21601 Clc1cccc(c1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100011215489 [0,1,0,1,0,0|2,0,0]=4 2274 B21R3.21601 Clc1cccc(c1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100011215489 [0,1,0,1,0,0|2,0,0]=4 2275 B21R3.21601 Fc1cccc(c1)C(c2ccccc2)N3CCCC3 270004a_100000188435_200011219850 [0,1,0,1,0,0|2,0,0]=4 2276 B21R3.21601 Fc1cccc(c1)C(c2ccccc2)N3CCSC3 270004a_100011215254_200011219850 [0,1,0,1,0,0|2,0,0]=4 2277 B21R3.150232 Brc1cccc(c1)C(NCC2CC2)c3ccccc3 2230a_100011212009_100000742324 [0,1,0,1,0,0|2,0,0]=4 2278 B21R3.150232 Brc1cccc(c1)C(NCC2CC2)c3ccccc3 269862a_100011212009_100000741477 [0,1,0,1,0,0|2,0,0]=4 2279 B21R3.150232 Brc1cccc(c1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100011267660 [0,1,0,1,0,0|2,0,0]=4 2280 B21R3.150232 Brc1cccc(c1)C(NCC2CC2)c3ccccc3 34a_100011212009_100000742324 [0,1,0,1,0,0|2,0,0]=4 2281 B21R3.150232 Brc1cccc(c1)C(NCC2CO2)c3ccccc3 2230a_100011212009_100011216344 [0,1,0,1,0,0|2,0,0]=4 2282 B21R3.150232 Brc1cccc(c1)C(NCC2CO2)c3ccccc3 34a_100011212009_102125554688 [0,1,0,1,0,0|2,0,0]=4 2283 B21R3.150232 Cc1cccc(c1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100011217825 [0,1,0,1,0,0|2,0,0]=4 2284 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccc3 2230a_100000741085_100000742324 [0,1,0,1,0,0|2,0,0]=4 2285 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccc3 269862a_100000741085_100000741477 [0,1,0,1,0,0|2,0,0]=4 2286 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100011215489 [0,1,0,1,0,0|2,0,0]=4 2287 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccc3 34a_100000741085_100000742324 [0,1,0,1,0,0|2,0,0]=4 2288 B21R3.150232 Clc1cccc(c1)C(NCC2CO2)c3ccccc3 2230a_100000741085_100011216344 [0,1,0,1,0,0|2,0,0]=4 2289 B21R3.150232 Clc1cccc(c1)C(NCC2CO2)c3ccccc3 34a_100000741085_102125554688 [0,1,0,1,0,0|2,0,0]=4 2290 B21R3.150232 Clc1cccc(c1)C(OCC2CC2)c3ccccc3 34a_100000733576_100000742324 [0,1,0,1,0,0|1,0,0]=3 2291 B21R3.150232 Clc1cccc(c1)C(OCC2CC2)c3ccccc3 7a_100000733576_100000742324 [0,1,0,1,0,0|1,0,0]=3 2292 B21R3.150232 Clc1cccc(c1)C(OCC2CO2)c3ccccc3 34a_100000733576_102125554688 [0,1,0,1,0,0|1,0,0]=3 2293 B21R3.150232 Clc1cccc(c1)C(OCC2CO2)c3ccccc3 7a_100000733576_102125554688 [0,1,0,1,0,0|1,0,0]=3 2294 B21R3.150232 Clc1cccc(c1)C(OCC2CS2)c3ccccc3 7a_100000733576_100000031435 [0,1,0,1,0,0|1,0,0]=3 2295 B21R3.150232 Clc1cccc(c1)C(OC[C@@H]2CO2)c3ccccc3 7a_100000733576_100000745022 [0,1,0,1,0,0|1,0,0]=3 2296 B21R3.150232 Fc1cccc(c1)C(NCC2CC2)c3ccccc3 2230a_100000686443_100000742324 [0,1,0,1,0,0|2,0,0]=4 2297 B21R3.150232 Fc1cccc(c1)C(NCC2CC2)c3ccccc3 269862a_100000686443_100000741477 [0,1,0,1,0,0|2,0,0]=4 2298 B21R3.150232 Fc1cccc(c1)C(NCC2CC2)c3ccccc3 270004a_100000735609_200011219850 [0,1,0,1,0,0|2,0,0]=4 2299 B21R3.150232 Fc1cccc(c1)C(NCC2CC2)c3ccccc3 34a_100000686443_100000742324 [0,1,0,1,0,0|2,0,0]=4 2300 B21R3.150232 Fc1cccc(c1)C(NCC2CO2)c3ccccc3 2230a_100000686443_100011216344 [0,1,0,1,0,0|2,0,0]=4 2301 B21R3.150232 Fc1cccc(c1)C(NCC2CO2)c3ccccc3 34a_100000686443_102125554688 [0,1,0,1,0,0|2,0,0]=4 2302 B21R3.150232 Fc1cccc(c1)C(OCC2CC2)c3ccccc3 34a_100000749007_100000742324 [0,1,0,1,0,0|1,0,0]=3 2303 B21R3.150232 Fc1cccc(c1)C(OCC2CC2)c3ccccc3 7a_100000749007_100000742324 [0,1,0,1,0,0|1,0,0]=3 2304 B21R3.150232 Fc1cccc(c1)C(OCC2CO2)c3ccccc3 34a_100000749007_102125554688 [0,1,0,1,0,0|1,0,0]=3 2305 B21R3.150232 Fc1cccc(c1)C(OCC2CO2)c3ccccc3 7a_100000749007_102125554688 [0,1,0,1,0,0|1,0,0]=3 2306 B21R3.150232 Fc1cccc(c1)C(OCC2CS2)c3ccccc3 7a_100000749007_100000031435 [0,1,0,1,0,0|1,0,0]=3 2307 B21R3.150232 Fc1cccc(c1)C(OC[C@@H]2CO2)c3ccccc3 7a_100000749007_100000745022 [0,1,0,1,0,0|1,0,0]=3 2308 B21R3.151198 Brc1cccc(c1)C(NC2CCC2)c3ccccc3 270004a_100011212009_100000241760 [0,1,0,1,0,0|2,0,0]=4 2309 B21R3.151198 Brc1cccc(c1)C(NC2CCC2)c3ccccc3 34a_100011212009_100000749161 [0,1,0,1,0,0|2,0,0]=4 2310 B21R3.151198 Brc1cccc(c1)C(NC2COC2)c3ccccc3 270004a_100016991112_100011267660 [0,1,0,1,0,0|2,0,0]=4 2311 B21R3.151198 Brc1cccc(c1)C(NC2COC2)c3ccccc3 34a_100011212009_100009818527 [0,1,0,1,0,0|2,0,0]=4 2312 B21R3.151198 Brc1cccc(c1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100011267660 [0,1,0,1,0,0|2,0,0]=4 2313 B21R3.151198 Cc1cccc(c1)C(NC2COC2)c3ccccc3 270004a_100016991112_100011217825 [0,1,0,1,0,0|2,0,0]=4 2314 B21R3.151198 Cc1cccc(c1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100011217825 [0,1,0,1,0,0|2,0,0]=4 2315 B21R3.151198 Clc1cccc(c1)C(NC2CCC2)c3ccccc3 270004a_100000741085_100000241760 [0,1,0,1,0,0|2,0,0]=4 2316 B21R3.151198 Clc1cccc(c1)C(NC2CCC2)c3ccccc3 34a_100000741085_100000749161 [0,1,0,1,0,0|2,0,0]=4 2317 B21R3.151198 Clc1cccc(c1)C(NC2COC2)c3ccccc3 270004a_100016991112_100011215489 [0,1,0,1,0,0|2,0,0]=4 2318 B21R3.151198 Clc1cccc(c1)C(NC2COC2)c3ccccc3 34a_100000741085_100009818527 [0,1,0,1,0,0|2,0,0]=4 2319 B21R3.151198 Clc1cccc(c1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100011215489 [0,1,0,1,0,0|2,0,0]=4 2320 B21R3.151198 Clc1cccc(c1)C(OC2COC2)c3ccccc3 34a_100000733576_100009818527 [0,1,0,1,0,0|1,0,0]=3 2321 B21R3.151198 Clc1cccc(c1)C(OC2COC2)c3ccccc3 7a_100000733576_100009818527 [0,1,0,1,0,0|1,0,0]=3 2322 B21R3.151198 Fc1cccc(c1)C(NC2CCC2)c3ccccc3 270004a_100000686443_100000241760 [0,1,0,1,0,0|2,0,0]=4 2323 B21R3.151198 Fc1cccc(c1)C(NC2CCC2)c3ccccc3 34a_100000686443_100000749161 [0,1,0,1,0,0|2,0,0]=4 2324 B21R3.151198 Fc1cccc(c1)C(NC2COC2)c3ccccc3 270004a_100016991112_200011219850 [0,1,0,1,0,0|2,0,0]=4 2325 B21R3.151198 Fc1cccc(c1)C(NC2COC2)c3ccccc3 34a_100000686443_100009818527 [0,1,0,1,0,0|2,0,0]=4 2326 B21R3.151198 Fc1cccc(c1)C(NC2CSC2)c3ccccc3 270004a_100016994217_200011219850 [0,1,0,1,0,0|2,0,0]=4 2327 B21R3.151198 Fc1cccc(c1)C(OC2CCC2)c3ccccc3 34a_100000749007_100000749161 [0,1,0,1,0,0|1,0,0]=3 2328 B21R3.151198 Fc1cccc(c1)C(OC2COC2)c3ccccc3 34a_100000749007_100009818527 [0,1,0,1,0,0|1,0,0]=3 2329 B21R3.151198 Fc1cccc(c1)C(OC2COC2)c3ccccc3 7a_100000749007_100009818527 [0,1,0,1,0,0|1,0,0]=3 2330 B21R3.884 Brc1ccc(cc1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100000718703 [0,1,0,1,0,0|2,0,0]=4 2331 B21R3.884 Brc1ccc(cc1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100000718703 [0,1,0,1,0,0|2,0,0]=4 2332 B21R3.884 Cc1ccc(cc1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100000210966 [0,1,0,1,0,0|2,0,0]=4 2333 B21R3.884 Cc1ccc(cc1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100000210966 [0,1,0,1,0,0|2,0,0]=4 2334 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCCC3 2230a_100000188435_100000211669 [0,1,0,1,0,0|2,0,0]=4 2335 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCCC3 269982a_100000188435_100000211669 [0,1,0,1,0,0|2,0,0]=4 2336 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100000211064 [0,1,0,1,0,0|2,0,0]=4 2337 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCSC3 2230a_100011215254_100000211669 [0,1,0,1,0,0|2,0,0]=4 2338 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCSC3 269982a_100011215254_100000211669 [0,1,0,1,0,0|2,0,0]=4 2339 B21R3.884 Clc1ccc(cc1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100000211064 [0,1,0,1,0,0|2,0,0]=4 2340 B21R3.884 Fc1ccc(cc1)C(c2ccccc2)N3CCCC3 270004a_100000188435_100000210425 [0,1,0,1,0,0|2,0,0]=4 2341 B21R3.884 Fc1ccc(cc1)C(c2ccccc2)N3CCSC3 270004a_100011215254_100000210425 [0,1,0,1,0,0|2,0,0]=4 2342 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000745999_100000742324 [0,1,0,1,0,0|2,0,0]=4 2343 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000745999_100000741477 [0,1,0,1,0,0|2,0,0]=4 2344 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000718703 [0,1,0,1,0,0|2,0,0]=4 2345 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000745999_100000742324 [0,1,0,1,0,0|2,0,0]=4 2346 B21R3.30932 Brc1ccc(cc1)C(NCC2CO2)c3ccccc3 2230a_100000745999_100011216344 [0,1,0,1,0,0|2,0,0]=4 2347 B21R3.30932 Brc1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000745999_102125554688 [0,1,0,1,0,0|2,0,0]=4 2348 B21R3.30932 Brc1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100011217567_100000742324 [0,1,0,1,0,0|1,0,0]=3 2349 B21R3.30932 Brc1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100011217567_100000742324 [0,1,0,1,0,0|1,0,0]=3 2350 B21R3.30932 Brc1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_100011217567_102125554688 [0,1,0,1,0,0|1,0,0]=3 2351 B21R3.30932 Brc1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_100011217567_102125554688 [0,1,0,1,0,0|1,0,0]=3 2352 B21R3.30932 Brc1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_100011217567_100000031435 [0,1,0,1,0,0|1,0,0]=3 2353 B21R3.30932 Brc1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_100011217567_100000745022 [0,1,0,1,0,0|1,0,0]=3 2354 B21R3.30932 Cc1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000736602_100000742324 [0,1,0,1,0,0|2,0,0]=4 2355 B21R3.30932 Cc1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000736602_100000741477 [0,1,0,1,0,0|2,0,0]=4 2356 B21R3.30932 Cc1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000210966 [0,1,0,1,0,0|2,0,0]=4 2357 B21R3.30932 Cc1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000736602_100000742324 [0,1,0,1,0,0|2,0,0]=4 2358 B21R3.30932 Cc1ccc(cc1)C(NCC2CO2)c3ccccc3 2230a_100000736602_100011216344 [0,1,0,1,0,0|2,0,0]=4 2359 B21R3.30932 Cc1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000736602_102125554688 [0,1,0,1,0,0|2,0,0]=4 2360 B21R3.30932 Cc1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100000212064_100000742324 [0,1,0,1,0,0|1,0,0]=3 2361 B21R3.30932 Cc1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100000212064_100000742324 [0,1,0,1,0,0|1,0,0]=3 2362 B21R3.30932 Cc1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_100000212064_102125554688 [0,1,0,1,0,0|1,0,0]=3 2363 B21R3.30932 Cc1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_100000212064_102125554688 [0,1,0,1,0,0|1,0,0]=3 2364 B21R3.30932 Cc1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_100000212064_100000031435 [0,1,0,1,0,0|1,0,0]=3 2365 B21R3.30932 Cc1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_100000212064_100000745022 [0,1,0,1,0,0|1,0,0]=3 2366 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000735609_100000211669 [0,1,0,1,0,0|2,0,0]=4 2367 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000737946_100000742324 [0,1,0,1,0,0|2,0,0]=4 2368 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000737946_100000741477 [0,1,0,1,0,0|2,0,0]=4 2369 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000211064 [0,1,0,1,0,0|2,0,0]=4 2370 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000737946_100000742324 [0,1,0,1,0,0|2,0,0]=4 2371 B21R3.30932 Clc1ccc(cc1)C(NCC2CO2)c3ccccc3 2230a_100000737946_100011216344 [0,1,0,1,0,0|2,0,0]=4 2372 B21R3.30932 Clc1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000737946_102125554688 [0,1,0,1,0,0|2,0,0]=4 2373 B21R3.30932 Clc1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100000211768_100000742324 [0,1,0,1,0,0|1,0,0]=3 2374 B21R3.30932 Clc1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100000211768_100000742324 [0,1,0,1,0,0|1,0,0]=3 2375 B21R3.30932 Clc1ccc(cc1)C(OCC2CC2)c3ccccn3 34a_100000242608_100000742324 [0,1,0,1,0,0|2,0,0]=4 2376 B21R3.30932 Clc1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_100000211768_102125554688 [0,1,0,1,0,0|1,0,0]=3 2377 B21R3.30932 Clc1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_100000211768_102125554688 [0,1,0,1,0,0|1,0,0]=3 2378 B21R3.30932 Clc1ccc(cc1)C(OCC2CO2)c3ccccn3 34a_100000242608_102125554688 [0,1,0,1,0,0|2,0,0]=4 2379 B21R3.30932 Clc1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_100000211768_100000031435 [0,1,0,1,0,0|1,0,0]=3 2380 B21R3.30932 Clc1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_100000211768_100000745022 [0,1,0,1,0,0|1,0,0]=3 2381 B21R3.30932 Clc1ccc(cc1)C(SCC2CO2)c3ccccc3 62a_100000211669_102125554688 [0,1,0,1,0,0|1,1,0]=4 2382 B21R3.30932 Clc1ccc(cc1)C(SCC2CO2)c3ccccc3 62a_102125554688_100000211669 [0,1,0,1,0,0|1,1,0]=4 2383 B21R3.30932 Clc1ccc(cc1)C(SC[C@@H]2CO2)c3ccccc3 62a_100000211669_100000745022 [0,1,0,1,0,0|1,1,0]=4 2384 B21R3.30932 Clc1ccc(cc1)C(SC[C@@H]2CO2)c3ccccc3 62a_100000745022_100000211669 [0,1,0,1,0,0|1,1,0]=4 2385 B21R3.30932 Fc1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000737529_100000742324 [0,1,0,1,0,0|2,0,0]=4 2386 B21R3.30932 Fc1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000737529_100000741477 [0,1,0,1,0,0|2,0,0]=4 2387 B21R3.30932 Fc1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000210425 [0,1,0,1,0,0|2,0,0]=4 2388 B21R3.30932 Fc1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000737529_100000742324 [0,1,0,1,0,0|2,0,0]=4 2389 B21R3.30932 Fc1ccc(cc1)C(NCC2CO2)c3ccccc3 2230a_100000737529_100011216344 [0,1,0,1,0,0|2,0,0]=4 2390 B21R3.30932 Fc1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000737529_102125554688 [0,1,0,1,0,0|2,0,0]=4 2391 B21R3.30932 Fc1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_200000246460_100000742324 [0,1,0,1,0,0|1,0,0]=3 2392 B21R3.30932 Fc1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_200000246460_100000742324 [0,1,0,1,0,0|1,0,0]=3 2393 B21R3.30932 Fc1ccc(cc1)C(OCC2CC2)c3ccncc3 34a_100000748166_100000742324 [0,1,0,1,0,0|2,0,0]=4 2394 B21R3.30932 Fc1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_200000246460_102125554688 [0,1,0,1,0,0|1,0,0]=3 2395 B21R3.30932 Fc1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_200000246460_102125554688 [0,1,0,1,0,0|1,0,0]=3 2396 B21R3.30932 Fc1ccc(cc1)C(OCC2CO2)c3ccncc3 34a_100000748166_102125554688 [0,1,0,1,0,0|2,0,0]=4 2397 B21R3.30932 Fc1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_200000246460_100000031435 [0,1,0,1,0,0|1,0,0]=3 2398 B21R3.30932 Fc1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_200000246460_100000745022 [0,1,0,1,0,0|1,0,0]=3 2399 B21R3.30932 Nc1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100011236343_100000742324 [0,1,0,1,0,0|1,0,0]=3 2400 B21R3.30932 Nc1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100011236343_100000742324 [0,1,0,1,0,0|1,0,0]=3 2401 B21R3.30932 Nc1ccc(cc1)C(OCC2CO2)c3ccccc3 34a_100011236343_102125554688 [0,1,0,1,0,0|1,0,0]=3 2402 B21R3.30932 Nc1ccc(cc1)C(OCC2CO2)c3ccccc3 7a_100011236343_102125554688 [0,1,0,1,0,0|1,0,0]=3 2403 B21R3.30932 Nc1ccc(cc1)C(OCC2CS2)c3ccccc3 7a_100011236343_100000031435 [0,1,0,1,0,0|1,0,0]=3 2404 B21R3.30932 Nc1ccc(cc1)C(OC[C@@H]2CO2)c3ccccc3 7a_100011236343_100000745022 [0,1,0,1,0,0|1,0,0]=3 2405 B21R3.30932 Oc1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000198503_100000742324 [0,1,0,1,0,0|2,0,0]=4 2406 B21R3.30932 Oc1ccc(cc1)C(NCC2CO2)c3ccccc3 34a_100000198503_102125554688 [0,1,0,1,0,0|2,0,0]=4 2407 B21R3.30934 CC1CCN1C(c2ccccc2)c3ccc(cc3)Cl 269982a_100000755817_100000211669 [0,1,0,1,0,0|2,0,0]=4 2408 B21R3.649734 Brc1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000745999_100000241760 [0,1,0,1,0,0|2,0,0]=4 2409 B21R3.649734 Brc1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000745999_100000749161 [0,1,0,1,0,0|2,0,0]=4 2410 B21R3.649734 Brc1ccc(cc1)C(NC2COC2)c3ccccc3 270004a_100016991112_100000718703 [0,1,0,1,0,0|2,0,0]=4 2411 B21R3.649734 Brc1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000745999_100009818527 [0,1,0,1,0,0|2,0,0]=4 2412 B21R3.649734 Brc1ccc(cc1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100000718703 [0,1,0,1,0,0|2,0,0]=4 2413 B21R3.649734 Brc1ccc(cc1)C(OC2COC2)c3ccccc3 34a_100011217567_100009818527 [0,1,0,1,0,0|1,0,0]=3 2414 B21R3.649734 Brc1ccc(cc1)C(OC2COC2)c3ccccc3 7a_100011217567_100009818527 [0,1,0,1,0,0|1,0,0]=3 2415 B21R3.649734 Cc1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000736602_100000241760 [0,1,0,1,0,0|2,0,0]=4 2416 B21R3.649734 Cc1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000736602_100000749161 [0,1,0,1,0,0|2,0,0]=4 2417 B21R3.649734 Cc1ccc(cc1)C(NC2COC2)c3ccccc3 270004a_100016991112_100000210966 [0,1,0,1,0,0|2,0,0]=4 2418 B21R3.649734 Cc1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000736602_100009818527 [0,1,0,1,0,0|2,0,0]=4 2419 B21R3.649734 Cc1ccc(cc1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100000210966 [0,1,0,1,0,0|2,0,0]=4 2420 B21R3.649734 Cc1ccc(cc1)C(OC2CCC2)c3ccccc3 34a_100000212064_100000749161 [0,1,0,1,0,0|1,0,0]=3 2421 B21R3.649734 Cc1ccc(cc1)C(OC2COC2)c3ccccc3 34a_100000212064_100009818527 [0,1,0,1,0,0|1,0,0]=3 2422 B21R3.649734 Cc1ccc(cc1)C(OC2COC2)c3ccccc3 7a_100000212064_100009818527 [0,1,0,1,0,0|1,0,0]=3 2423 B21R3.649734 Clc1ccc(cc1)C(NC2CCC2)c3ccccc3 2230a_100000749019_100000211669 [0,1,0,1,0,0|2,0,0]=4 2424 B21R3.649734 Clc1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000737946_100000241760 [0,1,0,1,0,0|2,0,0]=4 2425 B21R3.649734 Clc1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000737946_100000749161 [0,1,0,1,0,0|2,0,0]=4 2426 B21R3.649734 Clc1ccc(cc1)C(NC2COC2)c3ccccc3 2230a_100016991112_100000211669 [0,1,0,1,0,0|2,0,0]=4 2427 B21R3.649734 Clc1ccc(cc1)C(NC2COC2)c3ccccc3 270004a_100016991112_100000211064 [0,1,0,1,0,0|2,0,0]=4 2428 B21R3.649734 Clc1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000737946_100009818527 [0,1,0,1,0,0|2,0,0]=4 2429 B21R3.649734 Clc1ccc(cc1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100000211064 [0,1,0,1,0,0|2,0,0]=4 2430 B21R3.649734 Clc1ccc(cc1)C(OC2CCC2)c3ccccn3 34a_100000242608_100000749161 [0,1,0,1,0,0|2,0,0]=4 2431 B21R3.649734 Clc1ccc(cc1)C(OC2COC2)c3ccccc3 34a_100000211768_100009818527 [0,1,0,1,0,0|1,0,0]=3 2432 B21R3.649734 Clc1ccc(cc1)C(OC2COC2)c3ccccc3 7a_100000211768_100009818527 [0,1,0,1,0,0|1,0,0]=3 2433 B21R3.649734 Clc1ccc(cc1)C(OC2COC2)c3ccccn3 34a_100000242608_100009818527 [0,1,0,1,0,0|2,0,0]=4 2434 B21R3.649734 Clc1ccc(cc1)C(OC2CSC2)c3ccccc3 7a_100000072292_100000211669 [0,1,0,1,0,0|1,0,0]=3 2435 B21R3.649734 Clc1ccc(cc1)C(OC2CSC2)c3ccccn3 7a_100000072292_200010188304 [0,1,0,1,0,0|2,0,0]=4 2436 B21R3.649734 Clc1ccc(cc1)C(SC2COC2)c3ccccc3 62a_100000211669_100009818527 [0,1,0,1,0,0|1,1,0]=4 2437 B21R3.649734 Fc1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000737529_100000241760 [0,1,0,1,0,0|2,0,0]=4 2438 B21R3.649734 Fc1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000737529_100000749161 [0,1,0,1,0,0|2,0,0]=4 2439 B21R3.649734 Fc1ccc(cc1)C(NC2COC2)c3ccccc3 270004a_100016991112_100000210425 [0,1,0,1,0,0|2,0,0]=4 2440 B21R3.649734 Fc1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000737529_100009818527 [0,1,0,1,0,0|2,0,0]=4 2441 B21R3.649734 Fc1ccc(cc1)C(NC2CSC2)c3ccccc3 270004a_100016994217_100000210425 [0,1,0,1,0,0|2,0,0]=4 2442 B21R3.649734 Fc1ccc(cc1)C(OC2CCC2)c3ccccc3 34a_200000246460_100000749161 [0,1,0,1,0,0|1,0,0]=3 2443 B21R3.649734 Fc1ccc(cc1)C(OC2CCC2)c3ccncc3 34a_100000748166_100000749161 [0,1,0,1,0,0|2,0,0]=4 2444 B21R3.649734 Fc1ccc(cc1)C(OC2COC2)c3ccccc3 34a_200000246460_100009818527 [0,1,0,1,0,0|1,0,0]=3 2445 B21R3.649734 Fc1ccc(cc1)C(OC2COC2)c3ccccc3 7a_200000246460_100009818527 [0,1,0,1,0,0|1,0,0]=3 2446 B21R3.649734 Fc1ccc(cc1)C(OC2COC2)c3ccncc3 34a_100000748166_100009818527 [0,1,0,1,0,0|2,0,0]=4 2447 B21R3.649734 Nc1ccc(cc1)C(OC2CCC2)c3ccccc3 34a_100011236343_100000749161 [0,1,0,1,0,0|1,0,0]=3 2448 B21R3.649734 Nc1ccc(cc1)C(OC2COC2)c3ccccc3 34a_100011236343_100009818527 [0,1,0,1,0,0|1,0,0]=3 2449 B21R3.649734 Nc1ccc(cc1)C(OC2COC2)c3ccccc3 7a_100011236343_100009818527 [0,1,0,1,0,0|1,0,0]=3 2450 B21R3.649734 Oc1ccc(cc1)C(NC2CCC2)c3ccccc3 270004a_100000198503_100000241760 [0,1,0,1,0,0|2,0,0]=4 2451 B21R3.649734 Oc1ccc(cc1)C(NC2CCC2)c3ccccc3 34a_100000198503_100000749161 [0,1,0,1,0,0|2,0,0]=4 2452 B21R3.649734 Oc1ccc(cc1)C(NC2COC2)c3ccccc3 34a_100000198503_100009818527 [0,1,0,1,0,0|2,0,0]=4 2453 B21R3.527 CC1CC1COC(c2ccccc2)c3ccccc3 7a_100000744939_100011216954 [0,1,0,1,0,0|1,0,0]=3 2454 B21R3.2824 CC1SCCN1C(c2ccccc2)c3ccccc3 2230a_200011216479_100000211591 [0,1,0,1,0,0|2,0,0]=4 2455 B21R3.2824 CC1SCCN1C(c2ccccc2)c3ccccc3 269982a_200011216479_100000211591 [0,1,0,1,0,0|2,0,0]=4 2456 B21R3.2824 CC1SCCN1C(c2ccccc2)c3ccccc3 270004a_200011216479_100000210122 [0,1,0,1,0,0|2,0,0]=4 2457 B21R3.2824 CN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 2230a_100016987801_200000210301 [0,1,0,1,0,0|1,0,0]=3 2458 B21R3.2824 CN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 269982a_100016987801_200000210301 [0,1,0,1,0,0|1,0,0]=3 2459 B21R3.2824 CN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 34a_100016987801_200000210301 [0,1,0,1,0,0|1,0,0]=3 2460 B21R3.2824 C[C@@H]1CCCN1C(c2ccccc2)c3ccccc3 2230a_100015189458_100000211591 [0,1,0,1,0,0|2,0,0]=4 2461 B21R3.2824 C[C@@H]1CCCN1C(c2ccccc2)c3ccccc3 269982a_100015189458_100000211591 [0,1,0,1,0,0|2,0,0]=4 2462 B21R3.2824 C[C@@H]1CCCN1C(c2ccccc2)c3ccccc3 270004a_100015189458_100000210122 [0,1,0,1,0,0|2,0,0]=4 2463 B21R3.2824 C[C@H]1CCCN1C(c2ccccc2)c3ccccc3 2230a_100020605311_100000211591 [0,1,0,1,0,0|2,0,0]=4 2464 B21R3.2824 C[C@H]1CCCN1C(c2ccccc2)c3ccccc3 269982a_100020605311_100000211591 [0,1,0,1,0,0|2,0,0]=4 2465 B21R3.2824 C[C@H]1CCCN1C(c2ccccc2)c3ccccc3 270004a_100020605311_100000210122 [0,1,0,1,0,0|2,0,0]=4 2466 B21R3.2824 [13CH3]N1CCC[C@@H]1C(c2ccccc2)c3ccccc3 2230a_100016987801_200025704644 [0,1,0,1,0,0|1,0,0]=3 2467 B21R3.2824 [13CH3]N1CCC[C@@H]1C(c2ccccc2)c3ccccc3 269982a_100016987801_200025704644 [0,1,0,1,0,0|1,0,0]=3 2468 B21R3.2824 [13CH3]N1CCC[C@@H]1C(c2ccccc2)c3ccccc3 34a_100016987801_200025704644 [0,1,0,1,0,0|1,0,0]=3 2469 B21R3.3138 C1=CCN(CC1)C(c2ccccc2)c3ccccc3 2230a_100000698166_100000211591 [0,1,0,1,0,0|2,0,0]=4 2470 B21R3.3138 C1=CCN(CC1)C(c2ccccc2)c3ccccc3 269982a_100000698166_100000211591 [0,1,0,1,0,0|2,0,0]=4 2471 B21R3.3138 C1=CCN(CC1)C(c2ccccc2)c3ccccc3 270004a_100000698166_100000210122 [0,1,0,1,0,0|2,0,0]=4 2472 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCCOC3 2230a_100000131196_100000211591 [0,1,0,1,0,0|2,0,0]=4 2473 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCCOC3 269982a_100000131196_100000211591 [0,1,0,1,0,0|2,0,0]=4 2474 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCCOC3 270004a_100000131196_100000210122 [0,1,0,1,0,0|2,0,0]=4 2475 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCOCC3 2230a_100015191051_100000211591 [0,1,0,1,0,0|2,0,0]=4 2476 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCOCC3 269982a_100015191051_100000211591 [0,1,0,1,0,0|2,0,0]=4 2477 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCOCC3 270004a_100015191051_100000210122 [0,1,0,1,0,0|2,0,0]=4 2478 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCSCC3 2230a_100000737611_100000211591 [0,1,0,1,0,0|2,0,0]=4 2479 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCSCC3 269982a_100000737611_100000211591 [0,1,0,1,0,0|2,0,0]=4 2480 B21R3.3138 c1ccc(cc1)C(c2ccccc2)N3CCSCC3 270004a_100000737611_100000210122 [0,1,0,1,0,0|2,0,0]=4 2481 B21R3.18624 O=C1CCC1OC(c2ccccc2)c3ccccc3 34a_100000211180_100009892977 [0,1,0,1,0,0|1,0,1]=4 2482 B21R3.18624 O=C1CCC1OC(c2ccccc2)c3ccccc3 7a_100000211180_100009892977 [0,1,0,1,0,0|1,0,1]=4 2483 B21R3.47836 C1=CCC(C1)NC(c2ccccc2)c3ccccc3 2230a_100015188752_100000211591 [0,1,0,1,0,0|2,0,0]=4 2484 B21R3.47836 C1=CCC(C1)NC(c2ccccc2)c3ccccc3 270004a_100015188752_100000210122 [0,1,0,1,0,0|2,0,0]=4 2485 B21R3.47836 c1ccc(cc1)C(NC2CCCC2)c3ccccc3 2230a_100000162943_100000179811 [0,1,0,1,0,0|2,0,0]=4 2486 B21R3.47836 c1ccc(cc1)C(NC2CCCC2)c3ccccc3 2230a_100000211070_100000211591 [0,1,0,1,0,0|2,0,0]=4 2487 B21R3.47836 c1ccc(cc1)C(NC2CCCC2)c3ccccc3 270004a_100000162943_100000210133 [0,1,0,1,0,0|2,0,0]=4 2488 B21R3.47836 c1ccc(cc1)C(NC2CCCC2)c3ccccc3 270004a_100000211070_100000210122 [0,1,0,1,0,0|2,0,0]=4 2489 B21R3.47836 c1ccc(cc1)C(NC2CCCC2)c3ccccc3 34a_100000162943_100000179811 [0,1,0,1,0,0|2,0,0]=4 2490 B21R3.47836 c1ccc(cc1)C(NC2CCOC2)c3ccccc3 2230a_100000162943_100000731011 [0,1,0,1,0,0|2,0,0]=4 2491 B21R3.47836 c1ccc(cc1)C(NC2CCOC2)c3ccccc3 270004a_100000162943_100000752484 [0,1,0,1,0,0|2,0,0]=4 2492 B21R3.47836 c1ccc(cc1)C(NC2CCOC2)c3ccccc3 34a_100000162943_100000690089 [0,1,0,1,0,0|2,0,0]=4 2493 B21R3.47836 c1ccc(cc1)C(NC2CCSC2)c3ccccc3 270004a_100000162943_100000212027 [0,1,0,1,0,0|2,0,0]=4 2494 B21R3.47836 c1ccc(cc1)C(N[C@@H]2CCOC2)c3ccccc3 2230a_200015188469_100000211591 [0,1,0,1,0,0|2,0,0]=4 2495 B21R3.47836 c1ccc(cc1)C(N[C@@H]2CCOC2)c3ccccc3 270004a_200015188469_100000210122 [0,1,0,1,0,0|2,0,0]=4 2496 B21R3.47836 c1ccc(cc1)C(N[C@H]2CCOC2)c3ccccc3 2230a_100015188467_100000211591 [0,1,0,1,0,0|2,0,0]=4 2497 B21R3.47836 c1ccc(cc1)C(N[C@H]2CCOC2)c3ccccc3 270004a_100015188467_100000210122 [0,1,0,1,0,0|2,0,0]=4 2498 B21R3.47836 c1ccc(cc1)C(OC2CCCC2)c3ccccc3 34a_100000211180_100000179811 [0,1,0,1,0,0|1,0,0]=3 2499 B21R3.47836 c1ccc(cc1)C(OC2CCCC2)c3ccccc3 7a_100000210269_100011216954 [0,1,0,1,0,0|1,0,0]=3 2500 B21R3.47836 c1ccc(cc1)C(OC2CCCC2)c3ccccc3 7a_100000211180_100000179811 [0,1,0,1,0,0|1,0,0]=3 2501 B21R3.47836 c1ccc(cc1)C(OC2CCCC2)c3ccccn3 7a_100000180852_100000179811 [0,1,0,1,0,0|2,0,0]=4 2502 B21R3.47836 c1ccc(cc1)C(OC2CCOC2)c3ccccc3 34a_100000211180_100000690089 [0,1,0,1,0,0|1,0,0]=3 2503 B21R3.47836 c1ccc(cc1)C(OC2CCOC2)c3ccccc3 7a_100000211180_100000731011 [0,1,0,1,0,0|1,0,0]=3 2504 B21R3.47836 c1ccc(cc1)C(OC2CCOC2)c3ccccn3 7a_100000180852_100000731011 [0,1,0,1,0,0|2,0,0]=4 2505 B21R3.47836 c1ccc(cc1)C(OC2CCSC2)c3ccccc3 7a_100011232664_100011216954 [0,1,0,1,0,0|1,0,0]=3 2506 B21R3.47836 c1ccc(cc1)C(SC2CCOC2)c3ccccc3 62a_100000211591_100000690089 [0,1,0,1,0,0|1,1,0]=4 2507 B21R3.47850 c1ccc(cc1)C(CCN2CCC2)c3ccccc3 269982a_100000754969_100009813428 [0,1,0,1,0,0|2,0,0]=4 2508 B21R3.47850 c1ccc(cc1)C(CNC2CCC2)c3ccccc3 270004a_100000739227_100000241760 [0,1,0,1,0,0|2,0,0]=4 2509 B21R3.47850 c1ccc(cc1)C(CNC2CCC2)c3ccccc3 34a_100000739227_100000749161 [0,1,0,1,0,0|2,0,0]=4 2510 B21R3.47850 c1ccc(cc1)C(CNC2COC2)c3ccccc3 34a_100000739227_100009818527 [0,1,0,1,0,0|2,0,0]=4 2511 B21R3.47850 c1ccc(cc1)C(COC2CCC2)c3ccccc3 34a_100011215272_100000749161 [0,1,0,1,0,0|1,0,0]=3 2512 B21R3.47850 c1ccc(cc1)C(COC2COC2)c3ccccc3 34a_100011215272_100009818527 [0,1,0,1,0,0|1,0,0]=3 2513 B21R3.47850 c1ccc(cc1)C(COC2COC2)c3ccccc3 7a_100011215272_100009818527 [0,1,0,1,0,0|1,0,0]=3 2514 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccc3 2230a_100000162943_100000763275 [0,1,0,1,0,0|2,0,0]=4 2515 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccc3 2230a_100000738700_100000211591 [0,1,0,1,0,0|2,0,0]=4 2516 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccc3 269862a_100000162943_100000753134 [0,1,0,1,0,0|2,0,0]=4 2517 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccc3 270004a_100000738700_100000210122 [0,1,0,1,0,0|2,0,0]=4 2518 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccc3 34a_100000162943_100000763275 [0,1,0,1,0,0|2,0,0]=4 2519 B21R3.47850 c1ccc(cc1)C(NCC2CCO2)c3ccccc3 2230a_100000162943_100000103362 [0,1,0,1,0,0|2,0,0]=4 2520 B21R3.47850 c1ccc(cc1)C(NCC2CCO2)c3ccccc3 34a_100000162943_100000103362 [0,1,0,1,0,0|2,0,0]=4 2521 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccc3 2230a_100000162943_100010264016 [0,1,0,1,0,0|2,0,0]=4 2522 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccc3 2230a_100015281925_100000211591 [0,1,0,1,0,0|2,0,0]=4 2523 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccc3 270004a_100015281925_100000210122 [0,1,0,1,0,0|2,0,0]=4 2524 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccc3 34a_100000162943_100010264016 [0,1,0,1,0,0|2,0,0]=4 2525 B21R3.47850 c1ccc(cc1)C(NC[C@@H]2CCO2)c3ccccc3 2230a_100020831831_100000211591 [0,1,0,1,0,0|2,0,0]=4 2526 B21R3.47850 c1ccc(cc1)C(NC[C@@H]2CCO2)c3ccccc3 270004a_100020831831_100000210122 [0,1,0,1,0,0|2,0,0]=4 2527 B21R3.47850 c1ccc(cc1)C(OCC2CCC2)c3ccccc3 34a_100000211180_100000763275 [0,1,0,1,0,0|1,0,0]=3 2528 B21R3.47850 c1ccc(cc1)C(OCC2CCC2)c3ccccc3 7a_100000211180_100000763275 [0,1,0,1,0,0|1,0,0]=3 2529 B21R3.47850 c1ccc(cc1)C(OCC2CCC2)c3ccccn3 7a_100000180852_100000763275 [0,1,0,1,0,0|2,0,0]=4 2530 B21R3.47850 c1ccc(cc1)C(OCC2CCO2)c3ccccc3 34a_100000211180_100000103362 [0,1,0,1,0,0|1,0,0]=3 2531 B21R3.47850 c1ccc(cc1)C(OCC2CCO2)c3ccccc3 7a_100000211180_100000103362 [0,1,0,1,0,0|1,0,0]=3 2532 B21R3.47850 c1ccc(cc1)C(OCC2CCO2)c3ccccn3 7a_100000180852_100000103362 [0,1,0,1,0,0|2,0,0]=4 2533 B21R3.47850 c1ccc(cc1)C(OCC2COC2)c3ccccc3 34a_100000211180_100010264016 [0,1,0,1,0,0|1,0,0]=3 2534 B21R3.47850 c1ccc(cc1)C(OCC2COC2)c3ccccc3 7a_100000211180_100010264016 [0,1,0,1,0,0|1,0,0]=3 2535 B21R3.47850 c1ccc(cc1)C(OCC2COC2)c3ccccn3 7a_100000180852_100010264016 [0,1,0,1,0,0|2,0,0]=4 2536 B21R3.47850 c1ccc(cc1)C(SCC2CCO2)c3ccccc3 62a_100000103362_100011216954 [0,1,0,1,0,0|1,1,0]=4 2537 B21R3.47850 c1ccc(cc1)C(SCC2CCO2)c3ccccc3 62a_100000211591_100000103362 [0,1,0,1,0,0|1,1,0]=4 2538 B21R3.47850 c1ccc(cc1)C(SCC2COC2)c3ccccc3 62a_100000211591_100010264016 [0,1,0,1,0,0|1,1,0]=4 2539 B21R3.47850 c1ccc(cc1)C(SCC2COC2)c3ccccc3 62a_100010264016_100011216954 [0,1,0,1,0,0|1,1,0]=4 2540 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000212008_100009813428 [0,1,0,1,0,0|2,0,0]=4 2541 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000272388_100000211595 [0,1,0,1,0,0|2,0,0]=4 2542 B21R3.47875 c1ccc(cc1)C(CCOC2CC2)c3ccccc3 34a_100000032380_100000211595 [0,1,0,1,0,0|2,0,0]=4 2543 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 2230a_100000739227_100000742324 [0,1,0,1,0,0|2,0,0]=4 2544 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 269862a_100000739227_100000741477 [0,1,0,1,0,0|2,0,0]=4 2545 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 34a_100000739227_100000742324 [0,1,0,1,0,0|2,0,0]=4 2546 B21R3.47875 c1ccc(cc1)C(CNCC2CO2)c3ccccc3 2230a_100000739227_100011216344 [0,1,0,1,0,0|2,0,0]=4 2547 B21R3.47875 c1ccc(cc1)C(CNCC2CO2)c3ccccc3 34a_100000739227_102125554688 [0,1,0,1,0,0|2,0,0]=4 2548 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 34a_100011215272_100000742324 [0,1,0,1,0,0|1,0,0]=3 2549 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 7a_100011215272_100000742324 [0,1,0,1,0,0|1,0,0]=3 2550 B21R3.47875 c1ccc(cc1)C(COCC2CO2)c3ccccc3 34a_100011215272_102125554688 [0,1,0,1,0,0|1,0,0]=3 2551 B21R3.47875 c1ccc(cc1)C(COCC2CO2)c3ccccc3 7a_100011215272_102125554688 [0,1,0,1,0,0|1,0,0]=3 2552 B21R3.47875 c1ccc(cc1)C(COCC2CS2)c3ccccc3 7a_100011215272_100000031435 [0,1,0,1,0,0|1,0,0]=3 2553 B21R3.47875 c1ccc(cc1)C(COC[C@@H]2CO2)c3ccccc3 7a_100011215272_100000745022 [0,1,0,1,0,0|1,0,0]=3 2554 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 2230a_100000162943_100000694398 [0,1,0,1,0,0|2,0,0]=4 2555 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 270004a_100000764129_100000210122 [0,1,0,1,0,0|2,0,0]=4 2556 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 34a_100000162943_100000694398 [0,1,0,1,0,0|2,0,0]=4 2557 B21R3.47875 c1ccc(cc1)C(NCCC2CO2)c3ccccc3 2230a_100000162943_100000732470 [0,1,0,1,0,0|2,0,0]=4 2558 B21R3.47875 c1ccc(cc1)C(NCCC2CO2)c3ccccc3 34a_100000162943_100000732470 [0,1,0,1,0,0|2,0,0]=4 2559 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 34a_100000211180_100000694398 [0,1,0,1,0,0|1,0,0]=3 2560 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000211180_100000764125 [0,1,0,1,0,0|1,0,0]=3 2561 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000754188_100011216954 [0,1,0,1,0,0|1,0,0]=3 2562 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccn3 7a_100000180852_100000764125 [0,1,0,1,0,0|2,0,0]=4 2563 B21R3.47875 c1ccc(cc1)C(OCCC2CO2)c3ccccc3 34a_100000211180_100000732470 [0,1,0,1,0,0|1,0,0]=3 2564 B21R3.47875 c1ccc(cc1)C(OCCC2CO2)c3ccccc3 7a_100000211180_100000732470 [0,1,0,1,0,0|1,0,0]=3 2565 B21R3.47875 c1ccc(cc1)C(OCCC2CO2)c3ccccn3 7a_100000180852_100000732470 [0,1,0,1,0,0|2,0,0]=4 2566 B21R3.47875 c1ccc(cc1)C(SCCC2CO2)c3ccccc3 62a_100000211591_100000732470 [0,1,0,1,0,0|1,1,0]=4 2567 B21R3.47875 c1ccc(cc1)C(SCCC2CO2)c3ccccc3 62a_100000732470_100011216954 [0,1,0,1,0,0|1,1,0]=4 2568 B21R3.3772129 C#CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215417 [0,1,0,1,0,0|1,0,1]=4 2569 B21R3.3772129 C#CCCCOC1c2ccccc2-c3c1cccc3 7a_100000215630_100000211598 [0,1,0,1,0,0|1,0,1]=4 2570 B21R3.3772129 C#CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000688953 [0,1,0,1,0,0|1,0,1]=4 2571 B21R3.3772129 C#CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000688953 [0,1,0,1,0,0|1,0,1]=4 2572 B21R3.3772129 C/C=C/COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100102629194 [0,1,0,1,0,0|1,0,1]=4 2573 B21R3.3772129 C/C=C/COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100102629194 [0,1,0,1,0,0|1,0,1]=4 2574 B21R3.3772129 C=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000757094 [0,1,0,1,0,0|1,0,1]=4 2575 B21R3.3772129 C=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000758997_100000211598 [0,1,0,1,0,0|1,0,1]=4 2576 B21R3.3772129 C=CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000754431 [0,1,0,1,0,0|1,0,1]=4 2577 B21R3.3772129 C=CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000754431 [0,1,0,1,0,0|1,0,1]=4 2578 B21R3.3772129 C=COCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000039644 [0,1,0,1,0,0|1,0,1]=4 2579 B21R3.3772129 CC#CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000748600 [0,1,0,1,0,0|1,0,1]=4 2580 B21R3.3772129 CC#CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000748600 [0,1,0,1,0,0|1,0,1]=4 2581 B21R3.3772129 CC/C=C\COC1c2ccccc2-c3c1cccc3 7a_100000211495_100103147603 [0,1,0,1,0,0|1,0,1]=4 2582 B21R3.3772129 CC=CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000070051 [0,1,0,1,0,0|1,0,1]=4 2583 B21R3.3772129 CC=CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000070051 [0,1,0,1,0,0|1,0,1]=4 2584 B21R3.3772129 CCC#CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100009813939 [0,1,0,1,0,0|1,0,1]=4 2585 B21R3.3772129 CCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210326 [0,1,0,1,0,0|2,0,0]=4 2586 B21R3.3772129 CCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000209983_100000211598 [0,1,0,1,0,0|2,0,0]=4 2587 B21R3.3772129 CCCCCOC1c2ccccc2-c3c1cccc3 7a_100000210253_100000211598 [0,1,0,1,0,0|1,0,0]=3 2588 B21R3.3772129 CCCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210326 [0,1,0,1,0,0|1,0,0]=3 2589 B21R3.3772129 CCCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210211 [0,1,0,1,0,0|2,0,0]=4 2590 B21R3.3772129 CCCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210210 [0,1,0,1,0,0|2,0,0]=4 2591 B21R3.3772129 CCCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210210 [0,1,0,1,0,0|1,0,0]=3 2592 B21R3.3772129 CCCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210211 [0,1,0,1,0,0|1,0,0]=3 2593 B21R3.3772129 CCOCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011215890 [0,1,0,1,0,0|2,0,0]=4 2594 B21R3.3772129 CCOCCNC1c2ccccc2-c3c1cccc3 2230a_102516460346_100000211598 [0,1,0,1,0,0|2,0,0]=4 2595 B21R3.3772129 CCOCCOC1c2ccccc2-c3c1cccc3 7a_100000210136_100000211598 [0,1,0,1,0,0|1,0,0]=3 2596 B21R3.3772129 CCOCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215890 [0,1,0,1,0,0|1,0,0]=3 2597 B21R3.3772129 CCOCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011215890 [0,1,0,1,0,0|1,1,0]=4 2598 B21R3.3772129 CCSCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000757381 [0,1,0,1,0,0|2,0,0]=4 2599 B21R3.3772129 CCSCCNC1c2ccccc2-c3c1cccc3 2230a_100000106463_100000211598 [0,1,0,1,0,0|2,0,0]=4 2600 B21R3.3772129 CCSCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000757381 [0,1,0,1,0,0|1,0,0]=3 2601 B21R3.3772129 CCSCCOC1c2ccccc2-c3c1cccc3 7a_100000212035_100000211598 [0,1,0,1,0,0|1,0,0]=3 2602 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 2230a_106832991635_100000426982 [0,1,0,1,0,0|2,0,0]=4 2603 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 7a_106832991635_100000426982 [0,1,0,1,0,0|2,0,0]=4 2604 B21R3.3772129 COCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000740836 [0,1,0,1,0,0|2,0,0]=4 2605 B21R3.3772129 COCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000740836 [0,1,0,1,0,0|1,0,0]=3 2606 B21R3.3772129 COCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000709357 [0,1,0,1,0,0|1,1,0]=4 2607 B21R3.3772129 COCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011201679 [0,1,0,1,0,0|2,0,0]=4 2608 B21R3.3772129 COCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011201679 [0,1,0,1,0,0|2,0,0]=4 2609 B21R3.3772129 COCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011201679 [0,1,0,1,0,0|1,0,0]=3 2610 B21R3.3772129 COCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000233755 [0,1,0,1,0,0|1,0,0]=3 2611 B21R3.3772129 CSCCCNC1c2ccccc2-c3c1cccc3 2230a_100000749238_100000211598 [0,1,0,1,0,0|2,0,0]=4 2612 B21R3.3772129 CSCCCOC1c2ccccc2-c3c1cccc3 7a_100000690336_100000211598 [0,1,0,1,0,0|1,0,0]=3 2613 B21R3.3772129 CSCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000751147 [0,1,0,1,0,0|2,0,0]=4 2614 B21R3.3772129 CSCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000212216 [0,1,0,1,0,0|2,0,0]=4 2615 B21R3.3772129 CSCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000212216 [0,1,0,1,0,0|1,0,0]=3 2616 B21R3.3772129 CSCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000212216 [0,1,0,1,0,0|1,0,0]=3 2617 B21R3.3772129 ClCCCCOC1c2ccccc2-c3c1cccc3 7a_100000210776_100000211598 [0,1,0,1,0,0|1,0,0]=3 2618 B21R3.3772129 FCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000729493 [0,1,0,1,0,0|2,0,0]=4 2619 B21R3.3772129 FCCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000729493 [0,1,0,1,0,0|1,0,0]=3 2620 B21R3.3772129 FCCCCOC1c2ccccc2-c3c1cccc3 7a_100011995726_100000211598 [0,1,0,1,0,0|1,0,0]=3 2621 B21R3.3772129 FCCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011934791 [0,1,0,1,0,0|2,0,0]=4 2622 B21R3.3772129 FCCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100011934791 [0,1,0,1,0,0|2,0,0]=4 2623 B21R3.3772129 N#CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000687738 [0,1,0,1,0,0|1,0,1]=4 2624 B21R3.3772129 N#CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000184422 [0,1,0,1,0,0|2,0,0]=4 2625 B21R3.3772129 O=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200011292268 [0,1,0,1,0,0|1,0,1]=4 2626 B21R3.3772129 OCC#CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200000047223 [0,1,0,1,0,0|1,0,1]=4 2627 B21R3.3772129 OCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210776 [0,1,0,1,0,0|2,0,0]=4 2628 B21R3.3772129 OCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000750430_100000211598 [0,1,0,1,0,0|2,0,0]=4 2629 B21R3.3772129 OCCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210776 [0,1,0,1,0,0|1,0,0]=3 2630 B21R3.3772129 OCCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210776 [0,1,0,1,0,0|1,1,0]=4 2631 B21R3.3772129 OCCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000230001 [0,1,0,1,0,0|2,0,0]=4 2632 B21R3.3772129 OCCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100011215043 [0,1,0,1,0,0|2,0,0]=4 2633 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 2230a_100016987628_100000211591 [0,1,0,1,0,0|2,0,0]=4 2634 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100016987628_100000211591 [0,1,0,1,0,0|2,0,0]=4 2635 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 270004a_100016987628_100000210122 [0,1,0,1,0,0|2,0,0]=4 2636 B21R3.7545 F[C@H]1CCN(C1)C(c2ccccc2)c3ccccc3 2230a_100015203821_100000211591 [0,1,0,1,0,0|2,0,0]=4 2637 B21R3.7545 F[C@H]1CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100015203821_100000211591 [0,1,0,1,0,0|2,0,0]=4 2638 B21R3.7545 F[C@H]1CCN(C1)C(c2ccccc2)c3ccccc3 270004a_100015203821_100000210122 [0,1,0,1,0,0|2,0,0]=4 2639 B21R3.7545 O=C1CN(CN1)C(c2ccccc2)c3ccccc3 2230a_200000708111_100000211591 [0,1,0,1,0,0|1,0,1]=4 2640 B21R3.7545 OC1CCN(C1)C(c2ccccc2)c3ccccc3 2230a_100011215560_100000211591 [0,1,0,1,0,0|2,0,0]=4 2641 B21R3.7545 OC1CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100011215560_100000211591 [0,1,0,1,0,0|2,0,0]=4 2642 B21R3.7545 OC1CCN(C1)C(c2ccccc2)c3ccccc3 270004a_100011215560_100000210122 [0,1,0,1,0,0|2,0,0]=4 2643 B21R3.20615 CC1CC1C(=O)C(c2ccccc2)c3ccccc3 1458a_100000211227_100011216954 [0,1,0,1,0,0|2,0,0]=4 2644 B21R3.38456 CCC1CN(C1)C(c2ccccc2)c3ccccc3 2230a_100015205115_100000211591 [0,1,0,1,0,0|2,0,0]=4 2645 B21R3.38456 CCC1CN(C1)C(c2ccccc2)c3ccccc3 269982a_100015205115_100000211591 [0,1,0,1,0,0|2,0,0]=4 2646 B21R3.38456 CCC1CN(C1)C(c2ccccc2)c3ccccc3 270004a_100015205115_100000210122 [0,1,0,1,0,0|2,0,0]=4 2647 B21R3.38456 CNC1CN(C1)C(c2ccccc2)c3ccccc3 2230a_100001116303_200000210301 [0,1,0,1,0,0|1,0,0]=3 2648 B21R3.38456 CNC1CN(C1)C(c2ccccc2)c3ccccc3 7a_106832991635_100016989415 [0,1,0,1,0,0|1,0,0]=3 2649 B21R3.38456 COC1CN(C1)C(c2ccccc2)c3ccccc3 269982a_100000755009_100000211591 [0,1,0,1,0,0|2,0,0]=4 2650 B21R3.38456 CSC1CN(C1)C(c2ccccc2)c3ccccc3 269982a_100016990038_100000211591 [0,1,0,1,0,0|2,0,0]=4 2651 B21R3.38456 CSC1CN(C1)C(c2ccccc2)c3ccccc3 270004a_100016990038_100000210122 [0,1,0,1,0,0|2,0,0]=4 2652 B21R3.38456 CSC1CN(C1)C(c2ccccc2)c3ccccc3 62a_200000210301_100016989415 [0,1,0,1,0,0|2,0,0]=4 2653 B21R3.38456 [13CH3]NC1CN(C1)C(c2ccccc2)c3ccccc3 2230a_100001116303_200025704644 [0,1,0,1,0,0|1,0,0]=3 2654 B21R3.38456 [13CH3]SC1CN(C1)C(c2ccccc2)c3ccccc3 62a_200025704644_100016989415 [0,1,0,1,0,0|2,0,0]=4 2655 B21R3.150163 CN(C1CCC1)C(c2ccccc2)c3ccccc3 2230a_100000758072_100000211591 [0,1,0,1,0,0|2,0,0]=4 2656 B21R3.150163 CN(C1CCC1)C(c2ccccc2)c3ccccc3 269982a_100000758072_100000211591 [0,1,0,1,0,0|2,0,0]=4 2657 B21R3.150163 CN(C1CCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000749161 [0,1,0,1,0,0|2,0,0]=4 2658 B21R3.150163 CN(C1CCC1)C(c2ccccc2)c3ccccc3 270004a_100000758072_100000210122 [0,1,0,1,0,0|2,0,0]=4 2659 B21R3.150163 CN(C1CCC1)C(c2ccccc2)c3ccccc3 270004a_100103148541_100000241760 [0,1,0,1,0,0|2,0,0]=4 2660 B21R3.150163 CN(C1COC1)C(c2ccccc2)c3ccccc3 2230a_100102693430_100000211591 [0,1,0,1,0,0|2,0,0]=4 2661 B21R3.150163 CN(C1COC1)C(c2ccccc2)c3ccccc3 269982a_100102693430_100000211591 [0,1,0,1,0,0|2,0,0]=4 2662 B21R3.150163 CN(C1COC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000687716 [0,1,0,1,0,0|2,0,0]=4 2663 B21R3.150163 CN(C1COC1)C(c2ccccc2)c3ccccc3 270004a_100102693430_100000210122 [0,1,0,1,0,0|2,0,0]=4 2664 B21R3.150163 O=C(C1CCC1)C(c2ccccc2)c3ccccc3 1458a_100000209988_100011216954 [0,1,0,1,0,0|2,0,0]=4 2665 B21R3.150163 O=C(C1CCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000749161 [0,1,0,1,0,0|2,0,0]=4 2666 B21R3.150163 O=C(C1COC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000687716 [0,1,0,1,0,0|2,0,0]=4 2667 B21R3.150163 O=C(C1COC1)C(c2ccccc2)c3ccccc3 1458a_100000758290_100011216954 [0,1,0,1,0,0|2,0,0]=4 2668 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccc3 2230a_100000741881_100000211591 [0,1,0,1,0,0|2,0,0]=4 2669 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000742324 [0,1,0,1,0,0|2,0,0]=4 2670 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccc3 269982a_100000741881_100000211591 [0,1,0,1,0,0|2,0,0]=4 2671 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000756562 [0,1,0,1,0,0|2,0,0]=4 2672 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccc3 270004a_100000741881_100000210122 [0,1,0,1,0,0|2,0,0]=4 2673 B21R3.520222 CN(CC1CO1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100011216344 [0,1,0,1,0,0|2,0,0]=4 2674 B21R3.520222 CN(CC1CO1)C(c2ccccc2)c3ccccc3 269982a_100103148541_102125554688 [0,1,0,1,0,0|2,0,0]=4 2675 B21R3.520222 CN(CC1CS1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000031435 [0,1,0,1,0,0|2,0,0]=4 2676 B21R3.520222 CN(C[C@@H]1CO1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000745022 [0,1,0,1,0,0|2,0,0]=4 2677 B21R3.520222 O=C(CC1CC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000742324 [0,1,0,1,0,0|2,0,0]=4 2678 B21R3.520222 O=C(CC1CC1)C(c2ccccc2)c3ccccc3 1458a_100000738066_100011216954 [0,1,0,1,0,0|2,0,0]=4 2679 B21R3.520222 O=C(CC1CO1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100011216344 [0,1,0,1,0,0|2,0,0]=4 2680 B21R3.520222 O=C(CC1CS1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000031435 [0,1,0,1,0,0|2,0,0]=4 2681 B21R3.520222 O=C(C[C@@H]1CO1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000745022 [0,1,0,1,0,0|2,0,0]=4 2682 B21R3.1905445 CCCCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000210211 [0,1,0,1,0,0|2,0,0]=4 2683 B21R3.1905445 CCCCN(C)C1c2ccccc2-c3c1cccc3 2230a_100000207549_100000211598 [0,1,0,1,0,0|2,0,0]=4 2684 B21R3.1905445 CCCCN(C)C1c2ccccc2-c3c1cccc3 269982a_100000207549_100000211598 [0,1,0,1,0,0|2,0,0]=4 2685 B21R3.1905445 COCCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000233755 [0,1,0,1,0,0|2,0,0]=4 2686 B21R3.1905445 COCCN(C)C1c2ccccc2-c3c1cccc3 2230a_100000743101_100000211598 [0,1,0,1,0,0|2,0,0]=4 2687 B21R3.1905445 COCCN(C)C1c2ccccc2-c3c1cccc3 269982a_100000743101_100000211598 [0,1,0,1,0,0|2,0,0]=4 2688 B21R3.1905445 CSCCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000751147 [0,1,0,1,0,0|2,0,0]=4 2689 B21R3.1905445 CSCCN(C)C1c2ccccc2-c3c1cccc3 2230a_100000686725_100000211598 [0,1,0,1,0,0|2,0,0]=4 2690 B21R3.1905445 CSCCN(C)C1c2ccccc2-c3c1cccc3 269982a_100000686725_100000211598 [0,1,0,1,0,0|2,0,0]=4 2691 B21R3.21229 C=C1CC(C1)NC(c2ccccc2)c3ccccc3 2230a_100132301982_100000211591 [0,1,0,1,0,0|2,0,0]=4 2692 B21R3.21229 C=C1CC(C1)NC(c2ccccc2)c3ccccc3 270004a_100132301982_100000210122 [0,1,0,1,0,0|2,0,0]=4 2693 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccc3 270004a_100015196640_100000210122 [0,1,0,1,0,0|1,0,0]=3 2694 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100015196640_100000210380 [0,1,0,1,0,0|2,0,0]=4 2695 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3cccnc3 270004a_100015196640_100000735413 [0,1,0,1,0,0|2,0,0]=4 2696 B21R3.21229 FC1CC(C1)NC(c2ccccc2)c3ccccc3 2230a_100016993743_100000211591 [0,1,0,1,0,0|2,0,0]=4 2697 B21R3.21229 FC1CC(C1)NC(c2ccccc2)c3ccccc3 270004a_100016993743_100000210122 [0,1,0,1,0,0|2,0,0]=4 2698 B21R3.21229 O=C1CC(C1)SC(c2ccccc2)c3ccccc3 62a_100009894365_100011216954 [0,1,0,1,0,0|1,1,0]=4 2699 B21R3.21229 O[C@H]1C[C@@H](C1)NC(c2ccccc2)c3ccccc3 2230a_100020629032_100000211591 [0,1,0,1,0,0|2,0,0]=4 2700 B21R3.21229 O[C@H]1C[C@@H](C1)NC(c2ccccc2)c3ccccc3 270004a_100020629032_100000210122 [0,1,0,1,0,0|2,0,0]=4 2701 B21R3.9913503 C=C(C)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000730704 [0,1,0,1,0,0|2,0,0]=4 2702 B21R3.9913503 C=C(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000730704 [0,1,0,1,0,0|1,0,0]=3 2703 B21R3.9913503 CC(=CCOC1c2ccccc2-c3c1cccc3)C 7a_100000211495_100000761012 [0,1,0,1,0,0|1,0,1]=4 2704 B21R3.9913503 CC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000053229 [0,1,0,1,0,0|1,0,0]=3 2705 B21R3.9913503 CC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000759926_100000211598 [0,1,0,1,0,0|1,0,0]=3 2706 B21R3.9913503 CC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000053229 [0,1,0,1,0,0|1,1,0]=4 2707 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210312 [0,1,0,1,0,0|2,0,0]=4 2708 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 269862a_100000104097_100000185833 [0,1,0,1,0,0|2,0,0]=4 2709 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000210254_100000211598 [0,1,0,1,0,0|1,0,0]=3 2710 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210626 [0,1,0,1,0,0|1,0,0]=3 2711 B21R3.9913503 CC(O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100012276601 [0,1,0,1,0,0|2,0,0]=4 2712 B21R3.9913503 CC(O)CCNC1c2ccccc2-c3c1cccc3 2230a_200000755665_100000211598 [0,1,0,1,0,0|2,0,0]=4 2713 B21R3.9913503 CC(O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100012276601 [0,1,0,1,0,0|1,0,0]=3 2714 B21R3.9913503 CC(O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100012276601 [0,1,0,1,0,0|1,1,0]=4 2715 B21R3.9913503 CN(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000755713 [0,1,0,1,0,0|0,0,0]=2 2716 B21R3.9913503 CN(C)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000755713 [0,1,0,1,0,0|0,1,0]=3 2717 B21R3.9913503 NC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000744528 [0,1,0,1,0,0|2,0,0]=4 2718 B21R3.9913503 NC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000757172_100000211598 [0,1,0,1,0,0|2,0,0]=4 2719 B21R3.51990 CC(NC(c1ccccc1)c2ccccc2)C3CC3 2230a_100000700016_100000211591 [0,1,0,1,0,0|2,0,0]=4 2720 B21R3.51990 CC(NC(c1ccccc1)c2ccccc2)C3CC3 269862a_100000162943_100000210639 [0,1,0,1,0,0|2,0,0]=4 2721 B21R3.51990 CC(NC(c1ccccc1)c2ccccc2)C3CC3 270004a_100000700016_100000210122 [0,1,0,1,0,0|2,0,0]=4 2722 B21R3.51990 CC(NC(c1ccccc1)c2ccccc2)C3CO3 270004a_100000162943_100000031964 [0,1,0,1,0,0|2,0,0]=4 2723 B21R3.51990 CC(OC(c1ccccc1)c2ccccc2)C3CC3 7a_100000744524_100011216954 [0,1,0,1,0,0|1,0,0]=3 2724 B21R3.219759 CC1(CCC1)NC(c2ccccc2)c3ccccc3 2230a_100000692455_100000211591 [0,1,0,1,0,0|2,0,0]=4 2725 B21R3.219759 CC1(CCC1)NC(c2ccccc2)c3ccccc3 270004a_100000692455_100000210122 [0,1,0,1,0,0|2,0,0]=4 2726 B21R3.219759 CC1(CCC1)OC(c2ccccc2)c3ccccc3 7a_100000759064_100011216954 [0,1,0,1,0,0|1,0,0]=3 2727 B21R3.219759 CC1(COC1)NC(c2ccccc2)c3ccccc3 2230a_100000732644_100000211591 [0,1,0,1,0,0|2,0,0]=4 2728 B21R3.219759 CC1(COC1)NC(c2ccccc2)c3ccccc3 270004a_100000732644_100000210122 [0,1,0,1,0,0|2,0,0]=4 2729 B21R3.219759 CC1(CSC1)OC(c2ccccc2)c3ccccc3 7a_100016018533_100011216954 [0,1,0,1,0,0|1,0,0]=3 2730 B21R3.8487692 C#CCC(C)OC1c2ccccc2-c3c1cccc3 7a_100000685586_100000211598 [0,1,0,1,0,0|1,0,1]=4 2731 B21R3.8487692 C=CC[C@@H](C)OC1c2ccccc2-c3c1cccc3 7a_100000731007_100000211598 [0,1,0,1,0,0|1,0,1]=4 2732 B21R3.8487692 CC(CC#N)OC1c2ccccc2-c3c1cccc3 7a_100000211495_100009813641 [0,1,0,1,0,0|2,0,0]=4 2733 B21R3.8487692 CC(CCO)OC1c2ccccc2-c3c1cccc3 7a_100000211495_100009893172 [0,1,0,1,0,0|2,0,0]=4 2734 B21R3.8487692 CCCC(C)NC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000766640 [0,1,0,1,0,0|2,0,0]=4 2735 B21R3.8487692 CCCC(C)NC1c2ccccc2-c3c1cccc3 2230a_100000741246_100000211598 [0,1,0,1,0,0|2,0,0]=4 2736 B21R3.8487692 CCCC(C)NC1c2ccccc2-c3c1cccc3 270004a_100000104097_100000211909 [0,1,0,1,0,0|2,0,0]=4 2737 B21R3.8487692 CCCC(C)OC1c2ccccc2-c3c1cccc3 7a_100000211495_100000766640 [0,1,0,1,0,0|1,0,0]=3 2738 B21R3.8487692 CCCC(C)OC1c2ccccc2-c3c1cccc3 7a_100000764384_100000211598 [0,1,0,1,0,0|1,0,0]=3 2739 B21R3.8487692 COCC(C)NC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000765312 [0,1,0,1,0,0|2,0,0]=4 2740 B21R3.8487692 COCC(C)NC1c2ccccc2-c3c1cccc3 270004a_100000104097_100000749346 [0,1,0,1,0,0|2,0,0]=4 2741 B21R3.8487692 COCC(C)OC1c2ccccc2-c3c1cccc3 7a_100000211495_100000765312 [0,1,0,1,0,0|1,0,0]=3 2742 B21R3.8487692 COCC(C)SC1c2ccccc2-c3c1cccc3 62a_100000211598_100000765312 [0,1,0,1,0,0|1,1,0]=4 2743 B21R3.8487692 COC[C@@H](C)NC1c2ccccc2-c3c1cccc3 2230a_100000764878_100000211598 [0,1,0,1,0,0|2,0,0]=4 2744 B21R3.8487692 CSCC(C)NC1c2ccccc2-c3c1cccc3 270004a_100000104097_100011216314 [0,1,0,1,0,0|2,0,0]=4 2745 B21R3.20089 C[C@H]1[C@H](CN1C(c2ccccc2)c3ccccc3)O 2230a_206633788156_100000211591 [0,1,0,1,0,0|2,0,0]=4 2746 B21R3.20089 C[C@H]1[C@H](CN1C(c2ccccc2)c3ccccc3)O 269982a_206633788156_100000211591 [0,1,0,1,0,0|2,0,0]=4 2747 B21R3.20089 C[C@H]1[C@H](CN1C(c2ccccc2)c3ccccc3)O 270004a_206633788156_100000210122 [0,1,0,1,0,0|2,0,0]=4 2748 B21R3.4215241 CC1(CC1)CNC(c2ccccc2)c3ccccc3 2230a_100000766693_100000211591 [0,1,0,1,0,0|2,0,0]=4 2749 B21R3.4215241 CC1(CC1)CNC(c2ccccc2)c3ccccc3 270004a_100000766693_100000210122 [0,1,0,1,0,0|2,0,0]=4 2750 B21R3.4215241 CC1(CC1)COC(c2ccccc2)c3ccccc3 7a_100000698024_100011216954 [0,1,0,1,0,0|1,0,0]=3 2751 B21R3.4215241 CC1(CO1)CNC(c2ccccc2)c3ccccc3 34a_100000162943_100000760498 [0,1,0,1,0,0|2,0,0]=4 2752 B21R3.4215241 CC1(CO1)COC(c2ccccc2)c3ccccc3 34a_100000211180_100000760498 [0,1,0,1,0,0|1,0,0]=3 2753 B21R3.4215241 CC1(CO1)CSC(c2ccccc2)c3ccccc3 62a_100000211591_100000760498 [0,1,0,1,0,0|1,1,0]=4 2754 B21R3.4215241 CC1(CO1)CSC(c2ccccc2)c3ccccc3 62a_100000760498_100011216954 [0,1,0,1,0,0|1,1,0]=4 2755 B21R3.4215241 FC1(CC1)COC(c2ccccc2)c3ccccc3 7a_200000703853_100011216954 [0,1,0,1,0,0|1,0,0]=3 2756 B21R3.4215241 OC1(CC1)CNC(c2ccccc2)c3ccccc3 2230a_100011936951_100000211591 [0,1,0,1,0,0|2,0,0]=4 2757 B21R3.4215241 OC1(CC1)CNC(c2ccccc2)c3ccccc3 270004a_100011936951_100000210122 [0,1,0,1,0,0|2,0,0]=4 2758 B21R3.9552478 C=CC(C)COC1c2ccccc2-c3c1cccc3 7a_100011215527_100000211598 [0,1,0,1,0,0|1,0,1]=4 2759 B21R3.9552478 C=CC(O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000730141 [0,1,0,1,0,0|1,0,1]=4 2760 B21R3.9552478 CCC(=O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000747405 [0,1,0,1,0,0|1,0,1]=4 2761 B21R3.9552478 CCC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000748023 [0,1,0,1,0,0|2,0,0]=4 2762 B21R3.9552478 CCC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100020588543_100000211598 [0,1,0,1,0,0|2,0,0]=4 2763 B21R3.9552478 CCC(C)CNC1c2ccccc2-c3c1cccc3 270004a_100000104097_100000243153 [0,1,0,1,0,0|2,0,0]=4 2764 B21R3.9552478 CCC(C)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000748023 [0,1,0,1,0,0|1,0,0]=3 2765 B21R3.9552478 CCC(O)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011218378 [0,1,0,1,0,0|2,0,0]=4 2766 B21R3.9552478 CCC(O)CNC1c2ccccc2-c3c1cccc3 2230a_100011218483_100000211598 [0,1,0,1,0,0|2,0,0]=4 2767 B21R3.9552478 CCC(O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100011218378 [0,1,0,1,0,0|1,0,0]=3 2768 B21R3.9552478 CCC(O)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011218378 [0,1,0,1,0,0|1,1,0]=4 2769 B21R3.9552478 CC[C@H](C)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100009816398 [0,1,0,1,0,0|2,0,0]=4 2770 B21R3.9552478 CC[C@H](C)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100009816398 [0,1,0,1,0,0|1,0,0]=3 2771 B21R3.9552478 CC[C@H](C)COC1c2ccccc2-c3c1cccc3 7a_100009816381_100000211598 [0,1,0,1,0,0|1,0,0]=3 2772 B21R3.9552478 CNC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000183359 [0,1,0,1,0,0|1,0,1]=4 2773 B21R3.9552478 CNC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000693194_100000211598 [0,1,0,1,0,0|1,0,1]=4 2774 B21R3.9552478 CNC(=O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000183359 [0,1,0,1,0,0|0,0,1]=3 2775 B21R3.9552478 CNC(=O)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000183359 [0,1,0,1,0,0|0,1,1]=4 2776 B21R3.9552478 COC(=O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000747449 [0,1,0,1,0,0|1,0,1]=4 2777 B21R3.9552478 CO[C@H](C)CNC1c2ccccc2-c3c1cccc3 2230a_100020591295_100000211598 [0,1,0,1,0,0|2,0,0]=4 2778 B21R3.9552478 C[C@@H](CO)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000059175 [0,1,0,1,0,0|2,0,0]=4 2779 B21R3.9552478 OCC(O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100011219619 [0,1,0,1,0,0|2,0,0]=4 2780 B21R3.9552478 OC[C@H](O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100009815848 [0,1,0,1,0,0|2,0,0]=4 2781 B21R3.9552478 O[C@@H](CF)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100015614560 [0,1,0,1,0,0|2,0,0]=4 2782 B21R3.521284 CC(OC1COC1)(c2ccccc2)c3ccccc3 7a_100011202337_100009818527 [0,1,0,1,0,0|1,0,0]=3 2783 B21R3.521284 CC(OC1COC1)(c2ccccc2)c3ccccn3 7a_200000075192_100009818527 [0,1,0,1,0,0|2,0,0]=4 2784 B21R3.521824 CC(OCC1CC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000742324 [0,1,0,1,0,0|1,0,0]=3 2785 B21R3.521824 CC(OCC1CC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000742324 [0,1,0,1,0,0|2,0,0]=4 2786 B21R3.521824 CC(OCC1CO1)(c2ccccc2)c3ccccc3 7a_100011202337_102125554688 [0,1,0,1,0,0|1,0,0]=3 2787 B21R3.521824 CC(OCC1CO1)(c2ccccc2)c3ccccn3 7a_200000075192_102125554688 [0,1,0,1,0,0|2,0,0]=4 2788 B21R3.521824 CC(OCC1CS1)(c2ccccc2)c3ccccc3 7a_100011202337_100000031435 [0,1,0,1,0,0|1,0,0]=3 2789 B21R3.521824 CC(OCC1CS1)(c2ccccc2)c3ccccn3 7a_200000075192_100000031435 [0,1,0,1,0,0|2,0,0]=4 2790 B21R3.521824 CC(OC[C@@H]1CO1)(c2ccccc2)c3ccccc3 7a_100011202337_100000745022 [0,1,0,1,0,0|1,0,0]=3 2791 B21R3.521824 CC(OC[C@@H]1CO1)(c2ccccc2)c3ccccn3 7a_200000075192_100000745022 [0,1,0,1,0,0|2,0,0]=4 2792 B21R3.1863186 C#CCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000688953 [0,1,0,1,0,0|1,0,1]=4 2793 B21R3.1863186 C#CCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000688953 [0,1,0,1,0,0|1,0,1]=4 2794 B21R3.1863186 C/C=C/COC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100102629194 [0,1,0,1,0,0|1,0,1]=4 2795 B21R3.1863186 C/C=C/COC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100102629194 [0,1,0,1,0,0|1,0,1]=4 2796 B21R3.1863186 C=CCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000754431 [0,1,0,1,0,0|1,0,1]=4 2797 B21R3.1863186 C=CCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000754431 [0,1,0,1,0,0|1,0,1]=4 2798 B21R3.1863186 CC#CCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000748600 [0,1,0,1,0,0|1,0,1]=4 2799 B21R3.1863186 CC#CCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000748600 [0,1,0,1,0,0|1,0,1]=4 2800 B21R3.1863186 CC1(c2ccccc2-c3c1cccc3)OCCC#N 7a_100000075291_100000184422 [0,1,0,1,0,0|2,0,0]=4 2801 B21R3.1863186 CC1(c2ccccc2-c3c1cccc3)OCCCF 34a_100000075291_100011934791 [0,1,0,1,0,0|2,0,0]=4 2802 B21R3.1863186 CC1(c2ccccc2-c3c1cccc3)OCCCF 7a_100000075291_100011934791 [0,1,0,1,0,0|2,0,0]=4 2803 B21R3.1863186 CC1(c2ccccc2-c3c1cccc3)OCCCO 34a_100000075291_100000230001 [0,1,0,1,0,0|2,0,0]=4 2804 B21R3.1863186 CC1(c2ccccc2-c3c1cccc3)OCCCO 7a_100000075291_100011215043 [0,1,0,1,0,0|2,0,0]=4 2805 B21R3.1863186 CC=CCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000070051 [0,1,0,1,0,0|1,0,1]=4 2806 B21R3.1863186 CC=CCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000070051 [0,1,0,1,0,0|1,0,1]=4 2807 B21R3.1863186 CCCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000210210 [0,1,0,1,0,0|1,0,0]=3 2808 B21R3.1863186 CCCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000210211 [0,1,0,1,0,0|1,0,0]=3 2809 B21R3.1863186 COCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100011201679 [0,1,0,1,0,0|1,0,0]=3 2810 B21R3.1863186 COCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000233755 [0,1,0,1,0,0|1,0,0]=3 2811 B21R3.1863186 CSCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000212216 [0,1,0,1,0,0|1,0,0]=3 2812 B21R3.1863186 CSCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000212216 [0,1,0,1,0,0|1,0,0]=3 2813 B21R3.476 Brc1ccccc1C(c2ccccc2)N3CCCC3 270004a_100000188435_100000198044 [0,1,0,1,0,0|2,0,0]=4 2814 B21R3.476 Brc1ccccc1C(c2ccccc2)N3CCSC3 270004a_100011215254_100000198044 [0,1,0,1,0,0|2,0,0]=4 2815 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCCC3 2230a_100000188435_100000230135 [0,1,0,1,0,0|2,0,0]=4 2816 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCCC3 269982a_100000188435_100000230135 [0,1,0,1,0,0|2,0,0]=4 2817 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCCC3 270004a_100000188435_100000735561 [0,1,0,1,0,0|2,0,0]=4 2818 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCSC3 2230a_100011215254_100000230135 [0,1,0,1,0,0|2,0,0]=4 2819 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCSC3 269982a_100011215254_100000230135 [0,1,0,1,0,0|2,0,0]=4 2820 B21R3.476 Cc1ccccc1C(c2ccccc2)N3CCSC3 270004a_100011215254_100000735561 [0,1,0,1,0,0|2,0,0]=4 2821 B21R3.476 Clc1ccccc1C(c2ccccc2)N3CCCC3 270004a_100000188435_100011215288 [0,1,0,1,0,0|2,0,0]=4 2822 B21R3.476 Clc1ccccc1C(c2ccccc2)N3CCSC3 270004a_100011215254_100011215288 [0,1,0,1,0,0|2,0,0]=4 2823 B21R3.476 Fc1ccccc1C(c2ccccc2)N3CCCC3 270004a_100000188435_100011217773 [0,1,0,1,0,0|2,0,0]=4 2824 B21R3.476 Fc1ccccc1C(c2ccccc2)N3CCSC3 270004a_100011215254_100011217773 [0,1,0,1,0,0|2,0,0]=4 2825 B21R3.18311 Brc1ccccc1C(NCC2CC2)c3ccccc3 2230a_100011211563_100000742324 [0,1,0,1,0,0|2,0,0]=4 2826 B21R3.18311 Brc1ccccc1C(NCC2CC2)c3ccccc3 269862a_100011211563_100000741477 [0,1,0,1,0,0|2,0,0]=4 2827 B21R3.18311 Brc1ccccc1C(NCC2CC2)c3ccccc3 270004a_100000735609_100000198044 [0,1,0,1,0,0|2,0,0]=4 2828 B21R3.18311 Brc1ccccc1C(NCC2CC2)c3ccccc3 34a_100011211563_100000742324 [0,1,0,1,0,0|2,0,0]=4 2829 B21R3.18311 Brc1ccccc1C(NCC2CO2)c3ccccc3 2230a_100011211563_100011216344 [0,1,0,1,0,0|2,0,0]=4 2830 B21R3.18311 Brc1ccccc1C(NCC2CO2)c3ccccc3 34a_100011211563_102125554688 [0,1,0,1,0,0|2,0,0]=4 2831 B21R3.18311 Cc1ccccc1C(NCC2CC2)c3ccccc3 2230a_100000222801_100000742324 [0,1,0,1,0,0|2,0,0]=4 2832 B21R3.18311 Cc1ccccc1C(NCC2CC2)c3ccccc3 2230a_100000735609_100000230135 [0,1,0,1,0,0|2,0,0]=4 2833 B21R3.18311 Cc1ccccc1C(NCC2CC2)c3ccccc3 269862a_100000222801_100000741477 [0,1,0,1,0,0|2,0,0]=4 2834 B21R3.18311 Cc1ccccc1C(NCC2CC2)c3ccccc3 270004a_100000735609_100000735561 [0,1,0,1,0,0|2,0,0]=4 2835 B21R3.18311 Cc1ccccc1C(NCC2CC2)c3ccccc3 34a_100000222801_100000742324 [0,1,0,1,0,0|2,0,0]=4 2836 B21R3.18311 Cc1ccccc1C(NCC2CO2)c3ccccc3 2230a_100000222801_100011216344 [0,1,0,1,0,0|2,0,0]=4 2837 B21R3.18311 Cc1ccccc1C(NCC2CO2)c3ccccc3 34a_100000222801_102125554688 [0,1,0,1,0,0|2,0,0]=4 2838 B21R3.18311 Cc1ccccc1C(OCC2CC2)c3ccccc3 34a_100000212071_100000742324 [0,1,0,1,0,0|1,0,0]=3 2839 B21R3.18311 Cc1ccccc1C(OCC2CC2)c3ccccc3 7a_100000212071_100000742324 [0,1,0,1,0,0|1,0,0]=3 2840 B21R3.18311 Cc1ccccc1C(OCC2CO2)c3ccccc3 34a_100000212071_102125554688 [0,1,0,1,0,0|1,0,0]=3 2841 B21R3.18311 Cc1ccccc1C(OCC2CO2)c3ccccc3 7a_100000212071_102125554688 [0,1,0,1,0,0|1,0,0]=3 2842 B21R3.18311 Cc1ccccc1C(OCC2CS2)c3ccccc3 7a_100000212071_100000031435 [0,1,0,1,0,0|1,0,0]=3 2843 B21R3.18311 Cc1ccccc1C(OC[C@@H]2CO2)c3ccccc3 7a_100000212071_100000745022 [0,1,0,1,0,0|1,0,0]=3 2844 B21R3.18311 Cc1ccccc1C(SCC2CO2)c3ccccc3 62a_100000230135_102125554688 [0,1,0,1,0,0|1,1,0]=4 2845 B21R3.18311 Cc1ccccc1C(SCC2CO2)c3ccccc3 62a_102125554688_100000230135 [0,1,0,1,0,0|1,1,0]=4 2846 B21R3.18311 Cc1ccccc1C(SCC2CS2)c3ccccc3 62a_100000031435_100000230135 [0,1,0,1,0,0|1,1,0]=4 2847 B21R3.18311 Cc1ccccc1C(SCC2CS2)c3ccccc3 62a_100000230135_100000031435 [0,1,0,1,0,0|1,1,0]=4 2848 B21R3.18311 Cc1ccccc1C(SC[C@@H]2CO2)c3ccccc3 62a_100000230135_100000745022 [0,1,0,1,0,0|1,1,0]=4 2849 B21R3.18311 Cc1ccccc1C(SC[C@@H]2CO2)c3ccccc3 62a_100000745022_100000230135 [0,1,0,1,0,0|1,1,0]=4 2850 B21R3.18311 Clc1ccccc1C(NCC2CC2)c3ccccc3 270004a_100000735609_100011215288 [0,1,0,1,0,0|2,0,0]=4 2851 B21R3.18311 Clc1ccccc1C(OCC2CC2)c3ccccc3 34a_200011400577_100000742324 [0,1,0,1,0,0|1,0,0]=3 2852 B21R3.18311 Clc1ccccc1C(OCC2CC2)c3ccccc3 7a_200011400577_100000742324 [0,1,0,1,0,0|1,0,0]=3 2853 B21R3.18311 Clc1ccccc1C(OCC2CO2)c3ccccc3 34a_200011400577_102125554688 [0,1,0,1,0,0|1,0,0]=3 2854 B21R3.18311 Clc1ccccc1C(OCC2CO2)c3ccccc3 7a_200011400577_102125554688 [0,1,0,1,0,0|1,0,0]=3 2855 B21R3.18311 Clc1ccccc1C(OCC2CS2)c3ccccc3 7a_200011400577_100000031435 [0,1,0,1,0,0|1,0,0]=3 2856 B21R3.18311 Clc1ccccc1C(OC[C@@H]2CO2)c3ccccc3 7a_200011400577_100000745022 [0,1,0,1,0,0|1,0,0]=3 2857 B21R3.18311 Fc1ccccc1C(NCC2CC2)c3ccccc3 270004a_100000735609_100011217773 [0,1,0,1,0,0|2,0,0]=4 2858 B21R3.18311 Nc1ccccc1C(OCC2CC2)c3ccccc3 34a_100000246470_100000742324 [0,1,0,1,0,0|1,0,0]=3 2859 B21R3.18311 Nc1ccccc1C(OCC2CC2)c3ccccc3 7a_100000246470_100000742324 [0,1,0,1,0,0|1,0,0]=3 2860 B21R3.18311 Nc1ccccc1C(OCC2CO2)c3ccccc3 34a_100000246470_102125554688 [0,1,0,1,0,0|1,0,0]=3 2861 B21R3.18311 Nc1ccccc1C(OCC2CO2)c3ccccc3 7a_100000246470_102125554688 [0,1,0,1,0,0|1,0,0]=3 2862 B21R3.18311 Nc1ccccc1C(OCC2CS2)c3ccccc3 7a_100000246470_100000031435 [0,1,0,1,0,0|1,0,0]=3 2863 B21R3.18311 Nc1ccccc1C(OC[C@@H]2CO2)c3ccccc3 7a_100000246470_100000745022 [0,1,0,1,0,0|1,0,0]=3 2864 B21R3.18312 Cc1ccccc1C(c2ccccc2)N3CCC3C 269982a_100000755817_100000230135 [0,1,0,1,0,0|2,0,0]=4 2865 B21R3.160150 Brc1ccccc1C(NC2CCC2)c3ccccc3 270004a_100011211563_100000241760 [0,1,0,1,0,0|2,0,0]=4 2866 B21R3.160150 Brc1ccccc1C(NC2CCC2)c3ccccc3 34a_100011211563_100000749161 [0,1,0,1,0,0|2,0,0]=4 2867 B21R3.160150 Brc1ccccc1C(NC2COC2)c3ccccc3 270004a_100016991112_100000198044 [0,1,0,1,0,0|2,0,0]=4 2868 B21R3.160150 Brc1ccccc1C(NC2COC2)c3ccccc3 34a_100011211563_100009818527 [0,1,0,1,0,0|2,0,0]=4 2869 B21R3.160150 Brc1ccccc1C(NC2CSC2)c3ccccc3 270004a_100016994217_100000198044 [0,1,0,1,0,0|2,0,0]=4 2870 B21R3.160150 Cc1ccccc1C(NC2CCC2)c3ccccc3 2230a_100000749019_100000230135 [0,1,0,1,0,0|2,0,0]=4 2871 B21R3.160150 Cc1ccccc1C(NC2CCC2)c3ccccc3 270004a_100000222801_100000241760 [0,1,0,1,0,0|2,0,0]=4 2872 B21R3.160150 Cc1ccccc1C(NC2CCC2)c3ccccc3 34a_100000222801_100000749161 [0,1,0,1,0,0|2,0,0]=4 2873 B21R3.160150 Cc1ccccc1C(NC2COC2)c3ccccc3 2230a_100016991112_100000230135 [0,1,0,1,0,0|2,0,0]=4 2874 B21R3.160150 Cc1ccccc1C(NC2COC2)c3ccccc3 270004a_100016991112_100000735561 [0,1,0,1,0,0|2,0,0]=4 2875 B21R3.160150 Cc1ccccc1C(NC2COC2)c3ccccc3 34a_100000222801_100009818527 [0,1,0,1,0,0|2,0,0]=4 2876 B21R3.160150 Cc1ccccc1C(NC2CSC2)c3ccccc3 270004a_100016994217_100000735561 [0,1,0,1,0,0|2,0,0]=4 2877 B21R3.160150 Cc1ccccc1C(OC2CCC2)c3ccccc3 34a_100000212071_100000749161 [0,1,0,1,0,0|1,0,0]=3 2878 B21R3.160150 Cc1ccccc1C(OC2COC2)c3ccccc3 34a_100000212071_100009818527 [0,1,0,1,0,0|1,0,0]=3 2879 B21R3.160150 Cc1ccccc1C(OC2COC2)c3ccccc3 7a_100000212071_100009818527 [0,1,0,1,0,0|1,0,0]=3 2880 B21R3.160150 Cc1ccccc1C(OC2CSC2)c3ccccc3 7a_100000072292_100000230135 [0,1,0,1,0,0|1,0,0]=3 2881 B21R3.160150 Cc1ccccc1C(SC2COC2)c3ccccc3 62a_100000230135_100009818527 [0,1,0,1,0,0|1,1,0]=4 2882 B21R3.160150 Clc1ccccc1C(NC2COC2)c3ccccc3 270004a_100016991112_100011215288 [0,1,0,1,0,0|2,0,0]=4 2883 B21R3.160150 Clc1ccccc1C(NC2CSC2)c3ccccc3 270004a_100016994217_100011215288 [0,1,0,1,0,0|2,0,0]=4 2884 B21R3.160150 Clc1ccccc1C(OC2COC2)c3ccccc3 34a_200011400577_100009818527 [0,1,0,1,0,0|1,0,0]=3 2885 B21R3.160150 Clc1ccccc1C(OC2COC2)c3ccccc3 7a_200011400577_100009818527 [0,1,0,1,0,0|1,0,0]=3 2886 B21R3.160150 Fc1ccccc1C(NC2COC2)c3ccccc3 270004a_100016991112_100011217773 [0,1,0,1,0,0|2,0,0]=4 2887 B21R3.160150 Fc1ccccc1C(NC2CSC2)c3ccccc3 270004a_100016994217_100011217773 [0,1,0,1,0,0|2,0,0]=4 2888 B21R3.160150 Nc1ccccc1C(OC2CCC2)c3ccccc3 34a_100000246470_100000749161 [0,1,0,1,0,0|1,0,0]=3 2889 B21R3.160150 Nc1ccccc1C(OC2COC2)c3ccccc3 34a_100000246470_100009818527 [0,1,0,1,0,0|1,0,0]=3 2890 B21R3.160150 Nc1ccccc1C(OC2COC2)c3ccccc3 7a_100000246470_100009818527 [0,1,0,1,0,0|1,0,0]=3 2891 B21R3.8069667 C#CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000688953 [0,1,0,1,0,0|1,0,1]=4 2892 B21R3.8069667 C/C=C/COC1c2ccccc2Oc3c1cccc3 7a_100000210167_100102629194 [0,1,0,1,0,0|1,0,1]=4 2893 B21R3.8069667 C=CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000754431 [0,1,0,1,0,0|1,0,1]=4 2894 B21R3.8069667 CC#CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000748600 [0,1,0,1,0,0|1,0,1]=4 2895 B21R3.8069667 CC=CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000070051 [0,1,0,1,0,0|1,0,1]=4 2896 B21R3.8069667 CCCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210211 [0,1,0,1,0,0|2,0,0]=4 2897 B21R3.8069667 CCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210211 [0,1,0,1,0,0|1,0,0]=3 2898 B21R3.8069667 COCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100011201679 [0,1,0,1,0,0|2,0,0]=4 2899 B21R3.8069667 COCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000233755 [0,1,0,1,0,0|1,0,0]=3 2900 B21R3.8069667 CSCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000751147 [0,1,0,1,0,0|2,0,0]=4 2901 B21R3.8069667 CSCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000212216 [0,1,0,1,0,0|1,0,0]=3 2902 B21R3.8069667 FCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100011934791 [0,1,0,1,0,0|2,0,0]=4 2903 B21R3.8069667 N#CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000184422 [0,1,0,1,0,0|2,0,0]=4 2904 B21R3.8069667 OCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100011215043 [0,1,0,1,0,0|2,0,0]=4 2905 B21R4.467755 CC1CCN1C2c3ccccc3-c4c2cccc4 269982a_100000755817_100000211598 [0,0,0,2,0,0|2,0,0]=4 2906 B21R4.60535 c1ccc2c(c1)-c3ccccc3C2N4CCCC4 2230a_100000188435_100000211598 [0,0,0,2,0,0|2,0,0]=4 2907 B21R4.60535 c1ccc2c(c1)-c3ccccc3C2N4CCCC4 269982a_100000188435_100000211598 [0,0,0,2,0,0|2,0,0]=4 2908 B21R4.60535 c1ccc2c(c1)-c3ccccc3C2N4CCSC4 2230a_100011215254_100000211598 [0,0,0,2,0,0|2,0,0]=4 2909 B21R4.60535 c1ccc2c(c1)-c3ccccc3C2N4CCSC4 269982a_100011215254_100000211598 [0,0,0,2,0,0|2,0,0]=4 2910 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2NCC4CC4 2230a_100000104097_100000742324 [0,0,0,2,0,0|2,0,0]=4 2911 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2NCC4CC4 2230a_100000735609_100000211598 [0,0,0,2,0,0|2,0,0]=4 2912 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2NCC4CC4 269862a_100000104097_100000741477 [0,0,0,2,0,0|2,0,0]=4 2913 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2NCC4CO4 2230a_100000104097_100011216344 [0,0,0,2,0,0|2,0,0]=4 2914 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2OCC4CC4 7a_100000211495_100000742324 [0,0,0,2,0,0|1,0,0]=3 2915 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2OCC4CO4 7a_100000211495_102125554688 [0,0,0,2,0,0|1,0,0]=3 2916 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2OCC4CS4 7a_100000211495_100000031435 [0,0,0,2,0,0|1,0,0]=3 2917 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2OC[C@@H]4CO4 7a_100000211495_100000745022 [0,0,0,2,0,0|1,0,0]=3 2918 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2SCC4CC4 62a_100000211598_100000742324 [0,0,0,2,0,0|1,1,0]=4 2919 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2SCC4CO4 62a_100000211598_102125554688 [0,0,0,2,0,0|1,1,0]=4 2920 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2SCC4CS4 62a_100000211598_100000031435 [0,0,0,2,0,0|1,1,0]=4 2921 B21R4.3449 c1ccc2c(c1)-c3ccccc3C2SC[C@@H]4CO4 62a_100000211598_100000745022 [0,0,0,2,0,0|1,1,0]=4 2922 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2NC4CCC4 2230a_100000749019_100000211598 [0,0,0,2,0,0|2,0,0]=4 2923 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2NC4CCC4 270004a_100000104097_100000241760 [0,0,0,2,0,0|2,0,0]=4 2924 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2NC4COC4 2230a_100016991112_100000211598 [0,0,0,2,0,0|2,0,0]=4 2925 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2OC4COC4 7a_100000211495_100009818527 [0,0,0,2,0,0|1,0,0]=3 2926 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2OC4CSC4 7a_100000072292_100000211598 [0,0,0,2,0,0|1,0,0]=3 2927 B21R4.3450 c1ccc2c(c1)-c3ccccc3C2SC4COC4 62a_100000211598_100009818527 [0,0,0,2,0,0|1,1,0]=4 2928 B17R2.42 CCCNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210303 [1,0,0,0,1,0|2,0,0]=4 2929 B17R2.42 CCCNC(c1ccccc1)c2ccco2 34a_100015185865_100000210303 [1,0,0,0,1,0|2,0,0]=4 2930 B17R2.42 CCCNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210303 [1,0,0,0,1,0|2,0,0]=4 2931 B17R2.42 CCCNC(c1ccccc1)c2cccs2 270004a_100020643023_100011214959 [1,0,0,0,1,0|2,0,0]=4 2932 B17R2.42 CCCNC(c1ccccc1)c2cccs2 34a_100025760362_100000210303 [1,0,0,0,1,0|2,0,0]=4 2933 B17R2.42 CCCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210303 [1,0,0,0,1,0|2,0,0]=4 2934 B17R2.42 CCCNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210303 [1,0,0,0,1,0|2,0,0]=4 2935 B17R2.42 CCCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210303 [1,0,0,0,1,0|2,0,0]=4 2936 B17R2.42 CNCCC(c1ccccc1)c2ccco2 2230a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 2937 B17R2.42 CNCCC(c1ccccc1)c2ccco2 34a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 2938 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 2230a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 2939 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 34a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 2940 B19R2.2770 C#CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000184674 [1,0,0,0,0,1|0,0,2]=4 2941 B19R2.2770 C#CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000038162 [1,0,0,0,0,1|0,0,2]=4 2942 B19R2.2770 C=CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100015514636 [1,0,0,0,0,1|0,0,2]=4 2943 B19R2.2770 C=CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100015514636 [1,0,0,0,0,1|0,0,2]=4 2944 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210211 [1,0,0,0,0,1|2,0,0]=4 2945 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 2230a_100000211623_100015291786 [1,0,0,0,0,1|2,0,0]=4 2946 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000210211 [1,0,0,0,0,1|2,0,0]=4 2947 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 269982a_100000211623_100000211182 [1,0,0,0,0,1|2,0,0]=4 2948 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210210 [1,0,0,0,0,1|2,0,0]=4 2949 B19R2.2770 CCCCN(Cc1ccccc1)c2ccccc2 34a_100000211623_100015291786 [1,0,0,0,0,1|2,0,0]=4 2950 B19R2.2770 CCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210303 [1,0,0,0,0,1|1,0,0]=3 2951 B19R2.2770 CCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210303 [1,0,0,0,0,1|0,0,0]=2 2952 B19R2.2770 CCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210303 [1,0,0,0,0,1|0,0,0]=2 2953 B19R2.2770 COCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100011201679 [1,0,0,0,0,1|2,0,0]=4 2954 B19R2.2770 COCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000233755 [1,0,0,0,0,1|2,0,0]=4 2955 B19R2.2770 COCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100011201679 [1,0,0,0,0,1|2,0,0]=4 2956 B19R2.2770 COCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000766300 [1,0,0,0,0,1|2,0,0]=4 2957 B19R2.2770 CSCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000751147 [1,0,0,0,0,1|2,0,0]=4 2958 B19R2.2770 CSCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000212216 [1,0,0,0,0,1|2,0,0]=4 2959 B19R2.2770 CSCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000212216 [1,0,0,0,0,1|2,0,0]=4 2960 B19R2.2770 CSCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011218213 [1,0,0,0,0,1|2,0,0]=4 2961 B19R2.2770 CSCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011218213 [1,0,0,0,0,1|1,0,0]=3 2962 B19R2.2770 FCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011217306 [1,0,0,0,0,1|2,0,0]=4 2963 B19R2.2770 FCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011217306 [1,0,0,0,0,1|1,0,0]=3 2964 B19R2.2770 FCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011217306 [1,0,0,0,0,1|1,0,0]=3 2965 B19R2.2770 N#CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011215382 [1,0,0,0,0,1|0,0,2]=4 2966 B19R2.2770 O=CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_200009817547 [1,0,0,0,0,1|1,0,1]=4 2967 B19R2.2770 O=CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_200015260668 [1,0,0,0,0,1|1,0,1]=4 2968 B19R2.2770 OCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000211926 [1,0,0,0,0,1|2,0,0]=4 2969 B19R2.2770 OCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000211926 [1,0,0,0,0,1|1,0,0]=3 2970 B19R2.2770 OCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000211926 [1,0,0,0,0,1|1,0,0]=3