0 B22R3.12627361 CCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210211 [0,0,0,0,0,0|2,0,0]=2 1 B22R3.12627361 CCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210211 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.12627361 CCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210211_100000031795 [0,0,0,0,0,0|2,0,2]=4 3 B21R3.590114 CCCSC1c2ccccc2CCc3c1cccc3 62a_100000210303_100000031795 [1,0,0,0,0,0|1,0,2]=4 4 B23R3.21774393 CCCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000766640 [0,1,0,0,0,0|2,0,0]=3 5 B23R3.24909647 CCC(C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000748023 [0,1,0,0,0,0|2,0,0]=3 6 B23R3.24909647 CC[C@H](C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100009816398 [0,1,0,0,0,0|2,0,0]=3 7 B23R3.25657126 C=CCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757094 [0,1,0,0,0,0|1,0,1]=3 8 B23R3.25657126 CC/C=C\COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100103147603 [0,1,0,0,0,0|1,0,2]=4 9 B23R3.25657126 CCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210326 [0,1,0,0,0,0|1,0,0]=2 10 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000718602 [0,1,0,0,0,0|1,0,2]=4 11 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210326 [0,1,0,0,0,0|1,0,2]=4 12 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210253_100000031795 [0,1,0,0,0,0|1,0,2]=4 13 B23R3.25657126 CCCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210326 [0,1,0,0,0,0|2,0,1]=4 14 B23R3.25657126 CCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210326_100000031795 [0,1,0,0,0,0|1,0,2]=4 15 B23R3.25657126 CCSCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757381 [0,1,0,0,0,0|2,0,0]=3 16 B23R3.25657126 FCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000729493 [0,1,0,0,0,0|2,0,0]=3 17 B23R3.26139327 C=C(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000730704 [0,1,0,0,0,0|2,0,0]=3 18 B23R3.26139327 CC(=CCOC1c2ccccc2C=Cc3c1cccc3)C 7a_100000036585_100000761012 [0,1,0,0,0,0|2,0,1]=4 19 B23R3.26139327 CC(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210626 [0,1,0,0,0,0|2,0,0]=3 20 B21R2.14087 CCCCSCc1ccccc1C=Cc2ccccc2 271570a_100102527694_200011870348 [0,0,1,0,0,0|2,0,0]=3 21 B21R2.14087 CCCCSCc1ccccc1C=Cc2cccnc2 271570a_100102525586_200011870348 [0,0,1,0,0,0|3,0,0]=4 22 B21R3.8069667 CCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210210 [0,0,0,0,1,0|2,0,1]=4 23 B21R3.8069667 CCCCSc1c2ccccc2cc3c1cccc3 62a_100000210211_100000185772 [0,0,0,0,1,0|2,0,1]=4 24 B21R3.8069667 CCCSCc1c2ccccc2cc3c1cccc3 62a_100000210303_100009992879 [0,0,0,0,1,0|2,0,1]=4 25 B21R3.8069667 CCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000210303 [0,0,0,0,1,0|2,0,1]=4 26 B21R3.8069667 CSCCSc1c2ccccc2cc3c1cccc3 62a_100000212216_100000185772 [0,0,0,0,1,0|2,0,1]=4 27 B21R3.8069667 CSCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100011218213 [0,0,0,0,1,0|2,0,1]=4 28 B21R3.8069667 CSCSCc1c2ccccc2cc3c1cccc3 62a_100011218213_100009992879 [0,0,0,0,1,0|2,0,1]=4 29 B20R2.3566 CCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000230755 [1,0,1,0,0,0|1,0,0]=3 30 B20R2.3566 CCCSCc1ccccc1C=Cc2ccccc2 271570a_100102527694_200000173363 [1,0,1,0,0,0|1,0,0]=3 31 B22R2.26331 CCCCCCOc1ccccc1C=Cc2ccccn2 34a_200021180701_100000210314 [0,1,1,0,0,0|2,0,0]=4 32 B22R3.15879546 CCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000758301 [1,1,0,0,0,0|1,0,0]=3 33 B22R3.15927150 CCCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000718602 [0,1,0,0,1,0|1,0,1]=4 34 B22R3.15927150 CCCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210326 [0,1,0,0,1,0|2,0,0]=4 35 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210210 [0,1,0,0,1,0|1,0,1]=4 36 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 34a_100000210227_100009992879 [0,1,0,0,1,0|1,0,1]=4 37 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210211 [0,1,0,0,1,0|1,0,1]=4 38 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 7a_100000210227_100009992879 [0,1,0,0,1,0|1,0,1]=4 39 B22R3.15927150 COCCCSc1c2ccccc2cc3c1cccc3 62a_100000709357_100000185772 [0,1,0,0,1,0|1,0,1]=4 40 B22R3.15927150 CSCCSCc1c2ccccc2cc3c1cccc3 62a_100000212216_100009992879 [0,1,0,0,1,0|1,0,1]=4 41 B22R3.15927150 CSCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000751147 [0,1,0,0,1,0|1,0,1]=4 42 B24R3.13081414 CCCC(CC)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011219200 [0,2,0,0,0,0|2,0,0]=4 43 B24R3.50457414 CCCCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_200011215066 [0,2,0,0,0,0|1,0,0]=3 44 B24R3.115675198 CC(C)CC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000731052 [0,2,0,0,0,0|2,0,0]=4 45 B24R3.27762539 CCC(CC)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215472 [0,2,0,0,0,0|2,0,0]=4 46 B24R3.32143881 CCCC(C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011216630 [0,2,0,0,0,0|1,0,0]=3 47 B24R3.28516359 CC(=CCCOC1c2ccccc2C=Cc3c1cccc3)C 7a_100000036585_100011217483 [0,2,0,0,0,0|1,0,1]=4 48 B24R3.28516359 CC(C)CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011214892 [0,2,0,0,0,0|1,0,0]=3 49 B24R3.28516359 CC(C)SCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000730970 [0,2,0,0,0,0|2,0,0]=4 50 B24R3.49312270 C#CCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100010269958 [0,2,0,0,0,0|1,0,1]=4 51 B24R3.49312270 C=CCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215482 [0,2,0,0,0,0|1,0,1]=4 52 B24R3.49312270 CC/C=C\CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100015370543 [0,2,0,0,0,0|1,0,1]=4 53 B24R3.49312270 CCCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210314 [0,2,0,0,0,0|1,0,0]=3 54 B24R3.49312270 FCCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000729378 [0,2,0,0,0,0|1,0,0]=3 55 B24R3.1505225918 CC(C)(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000755188 [0,2,0,0,0,0|2,0,0]=4 56 B24R3.1505225918 C[Si](C)(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_200000733723 [0,2,0,0,0,0|2,0,0]=4 57 B22R3.3704 C(=Cc1ccccc1C2CCCCC2)c3ccccc3 271570a_100102527694_200009813743 [0,0,1,1,0,0|1,0,0]=3 58 B22R3.3704 C(=Cc1ccccc1C2CCCCC2)c3cccnc3 271570a_100102525586_200009813743 [0,0,1,1,0,0|2,0,0]=4 59 B22R3.74185 C(=Cc1ccccc1OC2CCCC2)c3ccccc3 271570a_100102527694_100011214840 [0,0,1,1,0,0|2,0,0]=4 60 B24R4.6571617 C1=Cc2ccccc2C(c3c1cccc3)OC4CCCC4 7a_100000036585_100000179811 [0,1,0,1,0,0|1,0,0]=3 61 B24R4.7210013 C1=Cc2ccccc2C(c3c1cccc3)OCC4CCC4 7a_100000036585_100000763275 [0,1,0,1,0,0|1,0,0]=3 62 B24R4.7210012 C1=Cc2ccccc2C(c3c1cccc3)OCCC4CC4 7a_100000036585_100000764125 [0,1,0,1,0,0|1,0,0]=3 63 B20R3.368533 CCCCc1c2ccccc2cc3c1cccc3 271570a_100020621405_100000185772 [1,0,0,0,1,0|0,0,1]=3 64 B20R3.368533 CCCSc1c2ccccc2cc3c1cccc3 62a_100000210303_100000185772 [1,0,0,0,1,0|1,0,1]=4 65 B20R3.368533 CCSCc1c2ccccc2cc3c1cccc3 62a_100000210202_100009992879 [1,0,0,0,1,0|1,0,1]=4 66 B20R3.368533 CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000210202 [1,0,0,0,1,0|1,0,1]=4 67 B20R3.2040304 CCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210210 [0,0,0,0,2,0|2,0,0]=4 68 B22R2.8833 CCCCSCc1ccccc1C=CCc2ccccc2 271570a_200016263579_200011870348 [0,0,1,0,0,1|2,0,0]=4