0 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210303 [1,0,0,0,0,0|2,0,0]=3 1 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210303 [1,0,0,0,0,0|2,0,0]=3 2 B21R3.590114 CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210303 [1,0,0,0,0,0|3,0,0]=4 3 B21R3.590114 CCNN=C1c2ccccc2CCc3c1cccc3 4a_100000756455_100000061076 [1,0,0,0,0,0|3,0,0]=4 4 B21R3.590114 COCSC1c2ccccc2CCc3c1cccc3 62a_100000766300_100000031795 [1,0,0,0,0,0|3,0,0]=4 5 B21R3.590114 CSCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218213 [1,0,0,0,0,0|3,0,0]=4 6 B21R3.590114 CSCSC1c2ccccc2CCc3c1cccc3 62a_100011218213_100000031795 [1,0,0,0,0,0|3,0,0]=4 7 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011217306 [1,0,0,0,0,0|3,0,0]=4 8 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011217306 [1,0,0,0,0,0|3,0,0]=4 9 B21R3.590114 FCCSC1c2ccccc2CCc3c1cccc3 62a_100011217306_100000031795 [1,0,0,0,0,0|3,0,0]=4 10 B21R3.590114 OCCNC1c2ccccc2CCc3c1cccc3 2230a_100016997473_100000031795 [1,0,0,0,0,0|3,0,0]=4 11 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000211926 [1,0,0,0,0,0|3,0,0]=4 12 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000211926 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.590114 OCCSC1c2ccccc2CCc3c1cccc3 62a_100000211926_100000031795 [1,0,0,0,0,0|3,0,0]=4 14 B20R2.3566 CCCCNc1ccccc1C#Cc2ccccc2 2230a_100000044502_100000210211 [1,0,1,0,0,0|0,0,2]=4 15 B20R2.3566 CCCCNc1ccccc1C#Cc2ccccc2 34a_100000044502_100000210210 [1,0,1,0,0,0|0,0,2]=4 16 B20R2.3566 CCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000210210 [1,0,1,0,0,0|1,0,0]=3 17 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000210211 [1,0,1,0,0,0|1,0,0]=3 18 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000210210 [1,0,1,0,0,0|1,0,0]=3 19 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000210211 [1,0,1,0,0,0|1,0,0]=3 20 B20R2.3566 CCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000210210 [1,0,1,0,0,0|1,0,0]=3 21 B20R2.3566 CCCCOc1ccccc1CNc2ccccc2 207a_100000106764_100000188526 [1,0,1,0,0,0|2,0,0]=4 22 B20R2.3566 CCCCOc1ccccc1CNc2ccccc2 270302a_100000106764_100000188526 [1,0,1,0,0,0|2,0,0]=4 23 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 207a_100000743494_100015611070 [1,0,1,0,0,0|2,0,0]=4 24 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 2230a_100000743494_100015291786 [1,0,1,0,0,0|2,0,0]=4 25 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 270302a_100000743494_100015611070 [1,0,1,0,0,0|2,0,0]=4 26 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 34a_100000743494_100015291786 [1,0,1,0,0,0|2,0,0]=4 27 B20R2.3566 CCCCOc1ccccc1OCc2ccccc2 34a_100000187230_100000210210 [1,0,1,0,0,0|2,0,0]=4 28 B20R2.3566 CCCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000210211 [1,0,1,0,0,0|2,0,0]=4 29 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210303 [1,0,1,0,0,0|2,0,0]=4 30 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210303 [1,0,1,0,0,0|2,0,0]=4 31 B20R2.3566 COCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011201679 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.3566 COCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011201679 [1,0,1,0,0,0|2,0,0]=4 33 B20R2.3566 COCCNc1ccccc1COc2ccccc2 34a_100000742786_100011201679 [1,0,1,0,0,0|2,0,0]=4 34 B20R2.3566 COCCNc1ccccc1COc2ccccc2 7a_100000742786_100000233755 [1,0,1,0,0,0|2,0,0]=4 35 B20R2.3566 COCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011201679 [1,0,1,0,0,0|2,0,0]=4 36 B20R2.3566 COCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011201679 [1,0,1,0,0,0|2,0,0]=4 37 B20R2.3566 COCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000233755 [1,0,1,0,0,0|2,0,0]=4 38 B20R2.3566 CSCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000212216 [1,0,1,0,0,0|2,0,0]=4 39 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000751147 [1,0,1,0,0,0|2,0,0]=4 40 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 34a_100000742786_100000212216 [1,0,1,0,0,0|2,0,0]=4 41 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 7a_100000742786_100000212216 [1,0,1,0,0,0|2,0,0]=4 42 B20R2.3566 CSCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000212216 [1,0,1,0,0,0|2,0,0]=4 43 B20R2.3566 CSCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000212216 [1,0,1,0,0,0|2,0,0]=4 44 B20R2.3566 CSCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000212216 [1,0,1,0,0,0|2,0,0]=4 45 B20R2.3566 CSCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011218213 [1,0,1,0,0,0|2,0,0]=4 46 B20R2.3566 FCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011934791 [1,0,1,0,0,0|2,0,0]=4 47 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 48 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 34a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 49 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 50 B20R2.3566 FCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011934791 [1,0,1,0,0,0|2,0,0]=4 51 B20R2.3566 FCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011934791 [1,0,1,0,0,0|2,0,0]=4 52 B20R2.3566 FCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011934791 [1,0,1,0,0,0|2,0,0]=4 53 B20R2.3566 OCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000230001 [1,0,1,0,0,0|2,0,0]=4 54 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000230001 [1,0,1,0,0,0|2,0,0]=4 55 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000230001 [1,0,1,0,0,0|2,0,0]=4 56 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215043 [1,0,1,0,0,0|2,0,0]=4 57 B20R2.3566 OCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000230001 [1,0,1,0,0,0|2,0,0]=4 58 B20R2.3566 OCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000230001 [1,0,1,0,0,0|2,0,0]=4 59 B20R2.3566 OCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215043 [1,0,1,0,0,0|2,0,0]=4 60 B20R2.4914 CCCCN(c1ccccc1)c2ccncc2CO 27a_100000211623_100000117392 [1,0,1,0,0,0|2,0,0]=4 61 B20R2.4914 CCCCN(c1ccccc1)c2cncnc2CC 27a_100000211623_100009816992 [1,0,1,0,0,0|2,0,0]=4 62 B20R2.4914 CCCCN(c1ccccc1)c2nccnc2CC 27a_100000211623_100011995844 [1,0,1,0,0,0|2,0,0]=4 63 B20R2.4914 CCCCN(c1ccccc1)c2ncncc2CC 27a_100000211623_200000100055 [1,0,1,0,0,0|2,0,0]=4 64 B20R2.21885 CCCCCN(c1ccccc1)c2ccncc2C 27a_200000219563_100000765111 [1,0,1,0,0,0|2,0,0]=4 65 B20R3.178278 CCNC1c2ccccc2CCc3c1cccc3 2230a_100015525214_100000031795 [2,0,0,0,0,0|2,0,0]=4 66 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210202 [2,0,0,0,0,0|2,0,0]=4 67 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210202 [2,0,0,0,0,0|2,0,0]=4 68 B20R3.178278 CCSC1c2ccccc2CCc3c1cccc3 62a_100000210202_100000031795 [2,0,0,0,0,0|2,0,0]=4 69 B22R4.1481292 c1ccc2c(c1)CCc3ccccc3C2OC4CC4 34a_100000025823_100000211595 [1,0,0,1,0,0|2,0,0]=4 70 B22R4.1481293 c1ccc2c(c1)CCc3ccccc3C2N4CCC4 269982a_100000754969_100000031795 [1,0,0,1,0,0|2,0,0]=4 71 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000731252 [0,0,1,0,1,0|1,0,1]=4 72 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000695029 [0,0,1,0,1,0|1,0,1]=4 73 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215417 [0,0,1,0,1,0|1,0,1]=4 74 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011713584 [0,0,1,0,1,0|1,0,1]=4 75 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757094 [0,0,1,0,1,0|1,0,1]=4 76 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757094 [0,0,1,0,1,0|1,0,1]=4 77 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210326 [0,0,1,0,1,0|1,0,0]=3 78 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000718602 [0,0,1,0,1,0|1,0,0]=3 79 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210326 [0,0,1,0,1,0|1,0,0]=3 80 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000718602 [0,0,1,0,1,0|2,0,0]=4 81 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210326 [0,0,1,0,1,0|2,0,0]=4 82 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011215890 [0,0,1,0,1,0|2,0,0]=4 83 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210147 [0,0,1,0,1,0|2,0,0]=4 84 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215890 [0,0,1,0,1,0|2,0,0]=4 85 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 86 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 87 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 88 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100000719477_100015186278 [0,0,1,0,1,0|2,0,0]=4 89 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100015186278_100000041952 [0,0,1,0,1,0|2,0,0]=4 90 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 91 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 92 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 93 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000740836 [0,0,1,0,1,0|2,0,0]=4 94 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000740836 [0,0,1,0,1,0|2,0,0]=4 95 B20R2.16905 COCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000740836 [0,0,1,0,1,0|2,0,0]=4 96 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000740836 [0,0,1,0,1,0|2,0,0]=4 97 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000740836 [0,0,1,0,1,0|2,0,0]=4 98 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_100000709357_200011216382 [0,0,1,0,1,0|2,0,0]=4 99 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000709357 [0,0,1,0,1,0|2,0,0]=4 100 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 101 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 102 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 103 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000687738 [0,0,1,0,1,0|2,0,0]=4 104 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000687738 [0,0,1,0,1,0|2,0,0]=4 105 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200011292268 [0,0,1,0,1,0|2,0,0]=4 106 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_200011292268 [0,0,1,0,1,0|2,0,0]=4 107 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210776 [0,0,1,0,1,0|2,0,0]=4 108 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011216708 [0,0,1,0,1,0|2,0,0]=4 109 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210776 [0,0,1,0,1,0|2,0,0]=4 110 B20R3.368533 CCCCc1c2ccccc2nc3c1cccc3 271570a_100020621405_100000044299 [1,0,0,0,1,0|2,0,0]=4 111 B20R3.2040304 CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210202 [0,0,0,0,2,0|2,0,0]=4