0 B21R3.590114 C#CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B21R3.590114 C#CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000038162 [0,0,0,0,0,0|2,0,2]=4 2 B21R3.590114 C#CCSC1c2ccccc2CCc3c1cccc3 62a_100000038162_100000031795 [0,0,0,0,0,0|2,0,2]=4 3 B21R3.590114 C=CCNC1c2ccccc2CCc3c1cccc3 2230a_100020586998_100000031795 [0,0,0,0,0,0|2,0,2]=4 4 B21R3.590114 C=CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100015514636 [0,0,0,0,0,0|2,0,2]=4 5 B21R3.590114 C=CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100015514636 [0,0,0,0,0,0|2,0,2]=4 6 B21R3.590114 C=CCSC1c2ccccc2CCc3c1cccc3 62a_100000210623_100000031795 [0,0,0,0,0,0|2,0,2]=4 7 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210303 [0,0,0,0,0,0|2,0,1]=3 8 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210303 [0,0,0,0,0,0|2,0,1]=3 9 B21R3.590114 CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210303 [0,0,0,0,0,0|3,0,1]=4 10 B21R3.590114 CCNN=C1c2ccccc2CCc3c1cccc3 4a_100000756455_100000061076 [0,0,0,0,0,0|3,0,0]=3 11 B21R3.590114 CCNN=C1c2ccccc2COc3c1cccc3 4a_100000756455_100009998808 [0,0,0,0,0,0|4,0,0]=4 12 B21R3.590114 CCNN=C1c2ccccc2CSc3c1cccc3 4a_100000756455_100000037704 [0,0,0,0,0,0|4,0,0]=4 13 B21R3.590114 COCSC1c2ccccc2CCc3c1cccc3 62a_100000766300_100000031795 [0,0,0,0,0,0|3,0,1]=4 14 B21R3.590114 CSCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218213 [0,0,0,0,0,0|3,0,1]=4 15 B21R3.590114 CSCSC1c2ccccc2CCc3c1cccc3 62a_100011218213_100000031795 [0,0,0,0,0,0|3,0,1]=4 16 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011217306 [0,0,0,0,0,0|2,0,1]=3 17 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011217306 [0,0,0,0,0,0|2,0,1]=3 18 B21R3.590114 FCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100011217306 [0,0,0,0,0,0|3,0,1]=4 19 B21R3.590114 FCCSC1c2ccccc2CCc3c1cccc3 62a_100011217306_100000031795 [0,0,0,0,0,0|2,0,1]=3 20 B21R3.590114 N#CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215382 [0,0,0,0,0,0|1,0,3]=4 21 B21R3.590114 N#CCSC1c2ccccc2CCc3c1cccc3 62a_100011215382_100000031795 [0,0,0,0,0,0|1,0,3]=4 22 B21R3.590114 O=CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_200009817547 [0,0,0,0,0,0|2,0,2]=4 23 B21R3.590114 O=CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_200015260668 [0,0,0,0,0,0|2,0,2]=4 24 B21R3.590114 O=CCSC1c2ccccc2CCc3c1cccc3 62a_200015260668_100000031795 [0,0,0,0,0,0|2,0,2]=4 25 B21R3.590114 OCCNC1c2ccccc2CCc3c1cccc3 2230a_100016997473_100000031795 [0,0,0,0,0,0|2,0,1]=3 26 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000211926 [0,0,0,0,0,0|2,0,1]=3 27 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000211926 [0,0,0,0,0,0|2,0,1]=3 28 B21R3.590114 OCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000211926 [0,0,0,0,0,0|3,0,1]=4 29 B21R3.590114 OCCSC1c2ccccc2CCc3c1cccc3 62a_100000211926_100000031795 [0,0,0,0,0,0|2,0,1]=3 30 B20R3.178278 CCNC1c2ccccc2CCc3c1cccc3 2230a_100015525214_100000031795 [1,0,0,0,0,0|1,0,1]=3 31 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210202 [1,0,0,0,0,0|1,0,1]=3 32 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210202 [1,0,0,0,0,0|1,0,1]=3 33 B20R3.178278 CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210202 [1,0,0,0,0,0|2,0,1]=4 34 B20R3.178278 CCSC1c2ccccc2CCc3c1cccc3 62a_100000210202_100000031795 [1,0,0,0,0,0|1,0,1]=3 35 B20R3.178278 FCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100015361967 [1,0,0,0,0,0|2,0,1]=4 36 B20R3.178278 FCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100015361967 [1,0,0,0,0,0|2,0,1]=4 37 B20R3.178278 FCSC1c2ccccc2CCc3c1cccc3 62a_100015361967_100000031795 [1,0,0,0,0,0|2,0,1]=4 38 B20R2.3566 CCCC=Cc1ccccc1C#Cc2ccccc2 271570a_100016258520_100010200916 [0,0,1,0,0,0|1,0,2]=4 39 B20R2.3566 CCCC=Cc1cccnc1OCc2ccccc2 271570a_100016258520_200011465151 [0,0,1,0,0,0|3,0,0]=4 40 B20R2.3566 CCCC=Cc1ncccc1OCc2ccccc2 271570a_100016258520_100011501402 [0,0,1,0,0,0|3,0,0]=4 41 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210303 [0,0,1,0,0,0|2,0,1]=4 42 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210303 [0,0,1,0,0,0|2,0,1]=4 43 B20R2.3566 CCOC=Cc1ccccc1OCc2ccccc2 271570a_100016256518_100000151716 [0,0,1,0,0,0|3,0,0]=4 44 B20R2.3566 COCC=Cc1ccccc1OCc2ccccc2 271570a_100016286323_100000151716 [0,0,1,0,0,0|3,0,0]=4 45 B20R2.3566 FCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011217306 [0,0,1,0,0,0|2,0,1]=4 46 B20R2.3566 FCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100011217306 [0,0,1,0,0,0|2,0,1]=4 47 B20R2.3566 OCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000211926 [0,0,1,0,0,0|2,0,1]=4 48 B20R2.3566 OCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000211926 [0,0,1,0,0,0|2,0,1]=4 49 B22R4.1481292 c1ccc2c(c1)CCc3ccccc3C2OC4CC4 34a_100000025823_100000211595 [0,0,0,1,0,0|2,0,1]=4 50 B22R4.1481293 c1ccc2c(c1)CCc3ccccc3C2N4CCC4 269982a_100000754969_100000031795 [0,0,0,1,0,0|2,0,1]=4 51 B20R3.368533 CCCCc1c2ccccc2nc3c1cccc3 271570a_100020621405_100000044299 [0,0,0,0,1,0|2,0,1]=4 52 B20R3.368533 CCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210303 [0,0,0,0,1,0|2,0,1]=4 53 B20R3.368533 CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210303 [0,0,0,0,1,0|3,0,0]=4 54 B20R3.368533 CCNN=C1c2ccccc2Cc3c1cccc3 4a_100000756455_100000210129 [0,0,0,0,1,0|3,0,0]=4 55 B20R3.368533 FCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100011217306 [0,0,0,0,1,0|2,0,1]=4 56 B20R3.368533 FCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100011217306 [0,0,0,0,1,0|3,0,0]=4 57 B20R3.368533 OCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000211926 [0,0,0,0,1,0|2,0,1]=4 58 B20R3.368533 OCCSc1c2ccccc2cc3c1cccc3 62a_100000211926_100000185772 [0,0,0,0,1,0|2,0,1]=4 59 B20R3.368533 OCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000211926 [0,0,0,0,1,0|3,0,0]=4 60 B19R2.4446 CCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210202 [1,0,1,0,0,0|1,0,1]=4 61 B19R2.4446 CCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210202 [1,0,1,0,0,0|1,0,1]=4 62 B19R2.4446 NCCOc1ccccc1SCc2ccccc2 62a_100000211182_100000744007 [1,0,1,0,0,0|2,0,0]=4 63 B19R2.4446 NCCOc1ccccc1SCc2ccccc2 62a_100000744007_100015291786 [1,0,1,0,0,0|2,0,0]=4 64 B19R3.1757189 CNC1c2ccccc2CCc3c1cccc3 2230a_106832991635_100000031795 [2,0,0,0,0,0|1,0,1]=4 65 B19R3.1757189 CNC1c2ccccc2CCc3c1cccc3 7a_106832991635_100000031795 [2,0,0,0,0,0|1,0,1]=4 66 B19R3.1757189 COC1c2ccccc2CCc3c1cccc3 34a_100000025823_200000210301 [2,0,0,0,0,0|1,0,1]=4 67 B19R3.1757189 COC1c2ccccc2CCc3c1cccc3 7a_100000025823_200000210301 [2,0,0,0,0,0|1,0,1]=4 68 B19R3.1757189 CSC1c2ccccc2CCc3c1cccc3 62a_200000210301_100000031795 [2,0,0,0,0,0|1,0,1]=4 69 B19R3.1757189 [13CH3]OC1c2ccccc2CCc3c1cccc3 34a_100000025823_200025704644 [2,0,0,0,0,0|1,0,1]=4 70 B19R3.1757189 [13CH3]OC1c2ccccc2CCc3c1cccc3 7a_100000025823_200025704644 [2,0,0,0,0,0|1,0,1]=4 71 B19R3.1757189 [13CH3]SC1c2ccccc2CCc3c1cccc3 62a_200025704644_100000031795 [2,0,0,0,0,0|1,0,1]=4 72 B21R3.7993561 CC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100138425928_100000031795 [1,1,0,0,0,0|1,0,1]=4 73 B21R3.7993561 CC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210206 [1,1,0,0,0,0|1,0,1]=4 74 B21R3.7993561 CC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210206 [1,1,0,0,0,0|1,0,1]=4 75 B21R3.9509984 CCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000225621_100000031795 [1,1,0,0,0,0|1,0,1]=4 76 B21R3.9509984 CCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000225621_100000031795 [1,1,0,0,0,0|1,0,1]=4 77 B21R3.8069667 CCCNN=C1c2ccccc2Cc3c1cccc3 4a_100000740057_100000210129 [0,1,0,0,1,0|2,0,0]=4 78 B21R3.8069667 NCCOCc1c2ccccc2cc3c1cccc3 34a_100000210304_100009992879 [0,1,0,0,1,0|0,0,2]=4 79 B21R3.8069667 OCCNN=C1c2ccccc2Cc3c1cccc3 4a_100000210001_100000210129 [0,1,0,0,1,0|2,0,0]=4 80 B21R3.8481400 CCCC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000210303 [0,1,0,0,1,0|1,0,1]=4 81 B21R3.8481400 CCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000210303 [0,1,0,0,1,0|1,0,1]=4 82 B21R3.8481400 O=C(CCF)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100011217306 [0,1,0,0,1,0|1,0,1]=4 83 B21R3.8481400 O=C(CCF)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100011217306 [0,1,0,0,1,0|1,0,1]=4 84 B21R3.8481400 O=C(CCO)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000211926 [0,1,0,0,1,0|1,0,1]=4 85 B21R3.8481400 O=C(CCO)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000211926 [0,1,0,0,1,0|1,0,1]=4 86 B21R3.47760 C(=CC1CC1)c2ccccc2OCc3ccccc3 271570a_100102526188_100000151716 [0,0,1,1,0,0|2,0,0]=4 87 B21R3.47773 C1=C(CCC1)c2ccccc2OCc3ccccc3 271570a_100000089523_100000151716 [0,0,1,1,0,0|2,0,0]=4 88 B21R3.2849805 CCc1ccccc1c2ccc(c3c2cccc3)N 271570a_100010193830_100011215823 [0,0,1,1,0,0|0,0,2]=4 89 B21R3.2849805 CCc1ccccc1c2ccc(c3c2cccc3)N 271570a_100011216252_100000766797 [0,0,1,1,0,0|0,0,2]=4 90 B21R3.2849805 CCc1ccccc1c2cnc(c3c2cccc3)N 271570a_100011216252_100010158575 [0,0,1,1,0,0|1,0,1]=4 91 B19R2.8977 CCOC=Cc1ccccc1Cc2ccccc2 271570a_100016256518_200011216382 [0,0,1,0,1,0|2,0,0]=4 92 B19R2.8977 COCC=Cc1ccccc1Cc2ccccc2 271570a_100016286323_200011216382 [0,0,1,0,1,0|2,0,0]=4 93 B19R2.8977 NCCOCc1ccccc1Cc2ccccc2 34a_100000210304_100010254464 [0,0,1,0,1,0|1,0,1]=4 94 B19R3.109688 CC=Cc1c2ccccc2nc3c1cccc3 271570a_100016259895_100000044299 [1,0,0,0,1,0|1,0,1]=4 95 B19R3.109688 CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210202 [1,0,0,0,1,0|1,0,1]=4 96 B19R3.109688 CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210202 [1,0,0,0,1,0|2,0,0]=4