0 B21R3.590114 C#CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000038162 [1,0,0,0,0,0|1,0,2]=4 1 B21R3.590114 C=CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100015514636 [1,0,0,0,0,0|1,0,2]=4 2 B21R3.590114 CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210303 [1,0,0,0,0,0|1,0,0]=2 3 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210303 [1,0,0,0,0,0|1,0,2]=4 4 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210303 [1,0,0,0,0,0|1,0,2]=4 5 B21R3.590114 CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210303 [1,0,0,0,0,0|2,0,1]=4 6 B21R3.590114 FCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011217306 [1,0,0,0,0,0|2,0,0]=3 7 B21R3.590114 N#CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215382 [1,0,0,0,0,0|1,0,2]=4 8 B21R3.590114 O=CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_200015260668 [1,0,0,0,0,0|2,0,1]=4 9 B21R3.590114 OCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000211926 [1,0,0,0,0,0|2,0,0]=3 10 B21R3.8069667 CCCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210211 [0,0,0,0,1,0|3,0,0]=4 11 B21R3.8069667 CCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210211 [0,0,0,0,1,0|3,0,0]=4 12 B21R3.8069667 CCCNCc1c2ccccc2cc3c1cccc3 207a_100020643023_100000261405 [0,0,0,0,1,0|2,0,1]=4 13 B21R3.8069667 CCCNCc1c2ccccc2cc3c1cccc3 270004a_100020643023_100000261405 [0,0,0,0,1,0|2,0,1]=4 14 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210303 [0,0,0,0,1,0|2,0,1]=4 15 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 34a_100000210258_100009992879 [0,0,0,0,1,0|2,0,1]=4 16 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210303 [0,0,0,0,1,0|2,0,1]=4 17 B21R3.8069667 COCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100011201679 [0,0,0,0,1,0|3,0,0]=4 18 B21R3.8069667 COCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100011201679 [0,0,0,0,1,0|2,0,1]=4 19 B21R3.8069667 COCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000233755 [0,0,0,0,1,0|3,0,0]=4 20 B21R3.8069667 COCCSc1c2ccccc2cc3c1cccc3 62a_100000233755_100000185772 [0,0,0,0,1,0|2,0,1]=4 21 B21R3.8069667 COCSCc1c2ccccc2cc3c1cccc3 62a_100000766300_100009992879 [0,0,0,0,1,0|2,0,1]=4 22 B21R3.8069667 COCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000766300 [0,0,0,0,1,0|2,0,1]=4 23 B21R3.8069667 CSCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000751147 [0,0,0,0,1,0|3,0,0]=4 24 B21R3.8069667 CSCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000212216 [0,0,0,0,1,0|2,0,1]=4 25 B21R3.8069667 CSCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000212216 [0,0,0,0,1,0|3,0,0]=4 26 B21R3.8069667 CSCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011218213 [0,0,0,0,1,0|2,0,1]=4 27 B20R2.3566 CCCCCc1ncncc1C=Cc2ccccc2 271570a_100102527694_100009816991 [1,0,1,0,0,0|2,0,0]=4 28 B20R2.3566 CCCCOc1ccccc1C=Cc2ccccn2 34a_200021180701_100000210210 [1,0,1,0,0,0|2,0,0]=4 29 B20R2.3566 CCCCOc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000230755 [1,0,1,0,0,0|2,0,0]=4 30 B20R2.3566 CCCNCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000196483 [1,0,1,0,0,0|1,0,0]=3 31 B20R2.3566 CCCNCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000196483 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.3566 CCCSCc1ccccc1C=Cc2cccnc2 271570a_100102525586_200000173363 [1,0,1,0,0,0|2,0,0]=4 33 B20R2.3566 COCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000234100 [1,0,1,0,0,0|2,0,0]=4 34 B20R2.3566 COCCSc1ccccc1C=Cc2ccccc2 271570a_100102527694_200016336083 [1,0,1,0,0,0|2,0,0]=4 35 B20R2.3566 OCCCCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100012092669 [1,0,1,0,0,0|1,0,0]=3 36 B20R2.3566 OCCCCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100012092669 [1,0,1,0,0,0|2,0,0]=4 37 B20R2.3566 OCCNCc1ccccc1C=Cc2ccccc2 271570a_100102527694_106744479749 [1,0,1,0,0,0|2,0,0]=4 38 B20R3.178278 CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210202 [2,0,0,0,0,0|1,0,0]=3 39 B20R3.178278 FCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100015361967 [2,0,0,0,0,0|2,0,0]=4 40 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100000719477_100015186278 [0,0,1,0,1,0|2,0,0]=4 41 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100015186278_100000041952 [0,0,1,0,1,0|2,0,0]=4 42 B20R3.368533 CCCCc1c2ccccc2nc3c1cccc3 271570a_100020621405_100000044299 [1,0,0,0,1,0|1,0,1]=4 43 B20R3.368533 CCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210303 [1,0,0,0,1,0|2,0,0]=4 44 B20R3.368533 CCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210303 [1,0,0,0,1,0|1,0,1]=4 45 B20R3.368533 CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210303 [1,0,0,0,1,0|2,0,0]=4 46 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 207a_100015525214_100000261405 [1,0,0,0,1,0|1,0,1]=4 47 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 2230a_100015525214_100009992879 [1,0,0,0,1,0|1,0,1]=4 48 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 270004a_100015525214_100000261405 [1,0,0,0,1,0|1,0,1]=4 49 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210202 [1,0,0,0,1,0|1,0,1]=4 50 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 34a_100121572206_100009992879 [1,0,0,0,1,0|1,0,1]=4 51 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210202 [1,0,0,0,1,0|1,0,1]=4 52 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000102301_100000211598 [0,0,0,0,2,0|2,0,0]=4 53 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210211 [0,0,0,0,2,0|2,0,0]=4 54 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 7a_106832991798_100000211598 [0,0,0,0,2,0|2,0,0]=4 55 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000210227_100000211598 [0,0,0,0,2,0|2,0,0]=4 56 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210211 [0,0,0,0,2,0|2,0,0]=4 57 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210303 [0,0,0,0,2,0|2,0,0]=4 58 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210303 [0,0,0,0,2,0|2,0,0]=4 59 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210303 [0,0,0,0,2,0|2,0,0]=4 60 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210303 [0,0,0,0,2,0|2,0,0]=4 61 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011201679 [0,0,0,0,2,0|2,0,0]=4 62 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000209980_100000211598 [0,0,0,0,2,0|2,0,0]=4 63 B20R3.2040304 COCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000233755 [0,0,0,0,2,0|2,0,0]=4 64 B20R3.2040304 COCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000233755 [0,0,0,0,2,0|2,0,0]=4 65 B20R3.2040304 COCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000766300 [0,0,0,0,2,0|2,0,0]=4 66 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000751147 [0,0,0,0,2,0|2,0,0]=4 67 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100020590264_100000211598 [0,0,0,0,2,0|2,0,0]=4 68 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000212216 [0,0,0,0,2,0|2,0,0]=4 69 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000230434_100000211598 [0,0,0,0,2,0|2,0,0]=4 70 B20R3.2040304 CSCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000751147 [0,0,0,0,2,0|2,0,0]=4 71 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011218213 [0,0,0,0,2,0|2,0,0]=4 72 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011218213 [0,0,0,0,2,0|2,0,0]=4 73 B20R3.2040304 CSCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011218213 [0,0,0,0,2,0|2,0,0]=4