0 B22R3.12627361 CCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210211 [0,0,0,0,0,0|2,0,1]=3 1 B23R3.21774393 CCCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000766640 [0,1,0,0,0,0|2,0,1]=4 2 B23R3.24909647 CCC(C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000748023 [0,1,0,0,0,0|2,0,1]=4 3 B23R3.24909647 CC[C@H](C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100009816398 [0,1,0,0,0,0|2,0,1]=4 4 B23R3.25657126 CCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210326 [0,1,0,0,0,0|1,0,2]=4 5 B23R3.25657126 CCSCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757381 [0,1,0,0,0,0|2,0,1]=4 6 B23R3.25657126 FCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000729493 [0,1,0,0,0,0|2,0,1]=4 7 B23R3.26139327 C=C(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000730704 [0,1,0,0,0,0|2,0,1]=4 8 B23R3.26139327 CC(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210626 [0,1,0,0,0,0|2,0,1]=4 9 B21R2.14087 CCCCC=Cc1ccccc1C#Cc2ccccc2 271570a_100016275911_100010200916 [0,0,1,0,0,0|1,0,2]=4 10 B21R2.14087 CCCCC=Cc1ccccc1OCc2ccccc2 271570a_100016275911_100000151716 [0,0,1,0,0,0|2,0,1]=4 11 B21R2.14087 CCCCSCc1ccccc1C=Cc2ccccc2 271570a_100102527694_200011870348 [0,0,1,0,0,0|2,0,1]=4 12 B21R3.8069667 C#CCCSc1c2ccccc2cc3c1cccc3 62a_100000688953_100000185772 [0,0,0,0,1,0|2,0,1]=4 13 B21R3.8069667 C/C=C/CSc1c2ccccc2cc3c1cccc3 62a_100102629194_100000185772 [0,0,0,0,1,0|2,0,1]=4 14 B21R3.8069667 C=CCCSc1c2ccccc2cc3c1cccc3 62a_100000754431_100000185772 [0,0,0,0,1,0|2,0,1]=4 15 B21R3.8069667 CC#CCSc1c2ccccc2cc3c1cccc3 62a_100000748600_100000185772 [0,0,0,0,1,0|2,0,1]=4 16 B21R3.8069667 CC=CCSc1c2ccccc2cc3c1cccc3 62a_100000070051_100000185772 [0,0,0,0,1,0|2,0,1]=4 17 B21R3.8069667 CCCC=Cc1c2ccccc2cc3c1cccc3 271570a_100016258520_100000185772 [0,0,0,0,1,0|1,0,1]=3 18 B21R3.8069667 CCCC=Cc1c2ccccc2nc3c1cccc3 271570a_100016258520_100000044299 [0,0,0,0,1,0|2,0,1]=4 19 B21R3.8069667 CCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210210 [0,0,0,0,1,0|2,0,0]=3 20 B21R3.8069667 CCCCSc1c2ccccc2cc3c1cccc3 62a_100000210211_100000185772 [0,0,0,0,1,0|2,0,0]=3 21 B21R3.8069667 CCCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210210 [0,0,0,0,1,0|3,0,0]=4 22 B21R3.8069667 CCCSCc1c2ccccc2cc3c1cccc3 62a_100000210303_100009992879 [0,0,0,0,1,0|2,0,1]=4 23 B21R3.8069667 CCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000210303 [0,0,0,0,1,0|2,0,1]=4 24 B21R3.8069667 CCOC=Cc1c2ccccc2cc3c1cccc3 271570a_100016256518_100000185772 [0,0,0,0,1,0|2,0,1]=4 25 B21R3.8069667 CCOCSc1c2ccccc2cc3c1cccc3 62a_100000739092_100000185772 [0,0,0,0,1,0|3,0,0]=4 26 B21R3.8069667 CSCCSc1c2ccccc2cc3c1cccc3 62a_100000212216_100000185772 [0,0,0,0,1,0|2,0,0]=3 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 B21R3.8069667 FCCCSc1c2ccccc2cc3c1cccc3 62a_100011934791_100000185772 [0,0,0,0,1,0|3,0,0]=4 30 B21R3.8069667 N#CCCSc1c2ccccc2cc3c1cccc3 62a_100011215226_100000185772 [0,0,0,0,1,0|3,0,0]=4 31 B20R2.3566 CCCC=Cc1ccccc1OCc2ccccc2 271570a_100016258520_100000151716 [1,0,1,0,0,0|1,0,1]=4 32 B20R2.3566 CCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000230755 [1,0,1,0,0,0|1,0,1]=4 33 B20R2.3566 CCCSCc1ccccc1C=Cc2ccccc2 271570a_100102527694_200000173363 [1,0,1,0,0,0|1,0,1]=4 34 B22R3.15879546 CCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000758301 [1,1,0,0,0,0|1,0,1]=4 35 B22R3.2033379 C/C=C/CC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100102629194 [0,1,0,0,1,0|1,0,1]=4 36 B22R3.2033379 C=CCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000754431 [0,1,0,0,1,0|1,0,1]=4 37 B22R3.2033379 CC=CCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000070051 [0,1,0,0,1,0|1,0,1]=4 38 B22R3.2033379 CCCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000210211 [0,1,0,0,1,0|1,0,0]=3 39 B22R3.13749479 CCCC(C)Nc1c2ccccc2cc3c1cccc3 34a_100009882017_100000766640 [0,1,0,0,1,0|2,0,0]=4 40 B22R3.13749479 COCC(C)Sc1c2ccccc2cc3c1cccc3 62a_100000765312_100000185772 [0,1,0,0,1,0|2,0,0]=4 41 B22R3.15498781 CCC(C)CNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000748023 [0,1,0,0,1,0|2,0,0]=4 42 B22R3.15498781 CC[C@H](C)CNc1c2ccccc2cc3c1cccc3 34a_100009882017_100009816398 [0,1,0,0,1,0|2,0,0]=4 43 B22R3.15927150 CCCCC=Cc1c2ccccc2nc3c1cccc3 271570a_100016275911_100000044299 [0,1,0,0,1,0|2,0,0]=4 44 B22R3.15927150 CCCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000718602 [0,1,0,0,1,0|1,0,1]=4 45 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210210 [0,1,0,0,1,0|1,0,1]=4 46 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 34a_100000210227_100009992879 [0,1,0,0,1,0|1,0,1]=4 47 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210211 [0,1,0,0,1,0|1,0,1]=4 48 B22R3.15927150 CCCCOCc1c2ccccc2cc3c1cccc3 7a_100000210227_100009992879 [0,1,0,0,1,0|1,0,1]=4 49 B22R3.15927150 CCOCCSc1c2ccccc2cc3c1cccc3 62a_100000210147_100000185772 [0,1,0,0,1,0|2,0,0]=4 50 B22R3.15927150 CCSCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000757381 [0,1,0,0,1,0|2,0,0]=4 51 B22R3.15927150 CCSCCSc1c2ccccc2cc3c1cccc3 62a_100000757381_100000185772 [0,1,0,0,1,0|2,0,0]=4 52 B22R3.15927150 COCCCSc1c2ccccc2cc3c1cccc3 62a_100000709357_100000185772 [0,1,0,0,1,0|1,0,1]=4 53 B22R3.15927150 CSCCSCc1c2ccccc2cc3c1cccc3 62a_100000212216_100009992879 [0,1,0,0,1,0|1,0,1]=4 54 B22R3.15927150 CSCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000751147 [0,1,0,0,1,0|1,0,1]=4 55 B22R3.15927150 FCCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000729493 [0,1,0,0,1,0|2,0,0]=4 56 B22R3.15927150 FCCCCSc1c2ccccc2cc3c1cccc3 62a_100000729493_100000185772 [0,1,0,0,1,0|2,0,0]=4 57 B22R3.16182945 C=C(C)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000730704 [0,1,0,0,1,0|2,0,0]=4 58 B22R3.16182945 CC(=O)CCSc1c2ccccc2cc3c1cccc3 62a_100000053229_100000185772 [0,1,0,0,1,0|2,0,0]=4 59 B22R3.16182945 CC(C)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210312 [0,1,0,0,1,0|2,0,0]=4 60 B22R3.1042 CCCCc1cc2ccccc2cc1c3ccccc3 271570a_100020621405_200102591465 [0,0,1,1,0,0|1,0,0]=3 61 B22R3.1042 CCCCc1nc2ccccc2cc1c3ccccc3 271570a_100020621405_100015267906 [0,0,1,1,0,0|2,0,0]=4 62 B22R3.1042 COCSc1cc2ccccc2cc1c3ccccc3 62a_100000766300_200102591465 [0,0,1,1,0,0|2,0,0]=4 63 B22R3.1042 COCSc1cc2ccccc2cc1c3ccccc3 62a_200102591465_100000766300 [0,0,1,1,0,0|2,0,0]=4 64 B22R3.1042 CSCSc1cc2ccccc2cc1c3ccccc3 62a_100011218213_200102591465 [0,0,1,1,0,0|2,0,0]=4 65 B22R3.1042 CSCSc1cc2ccccc2cc1c3ccccc3 62a_200102591465_100011218213 [0,0,1,1,0,0|2,0,0]=4 66 B22R3.11940 CCCCc1ccc2ccccc2c1c3ccccc3 271570a_100020621405_100020644368 [0,0,1,1,0,0|1,0,0]=3 67 B22R3.11940 COCSc1ccc2ccccc2c1c3ccccc3 62a_100020644368_100000766300 [0,0,1,1,0,0|2,0,0]=4 68 B22R3.11940 CSCSc1ccc2ccccc2c1c3ccccc3 62a_100020644368_100011218213 [0,0,1,1,0,0|2,0,0]=4 69 B22R4.1791 C(=CC1CC1)c2c3ccccc3cc4c2cccc4 271570a_100102526188_100000185772 [0,0,0,1,1,0|1,0,1]=4 70 B22R4.1791 c1ccc2c(c3ccccc3cc2c1)SCC4CC4 62a_100000756562_100000185772 [0,0,0,1,1,0|2,0,0]=4 71 B22R4.1791 c1ccc2c(c3ccccc3cc2c1)SCC4CS4 62a_100000031435_100000185772 [0,0,0,1,1,0|2,0,0]=4 72 B22R4.3151367 C1=C(CCC1)c2c3ccccc3cc4c2cccc4 271570a_100000089523_100000185772 [0,0,0,1,1,0|1,0,1]=4 73 B20R2.16905 CCCCC=Cc1ccccc1Cc2ccccc2 271570a_100016275911_200011216382 [0,0,1,0,1,0|1,0,1]=4 74 B20R2.16905 CCCCC=Cc1ccccc1Oc2ccccc2 271570a_100016275911_100000049502 [0,0,1,0,1,0|2,0,0]=4 75 B20R3.368533 CCCCc1c2ccccc2cc3c1cccc3 271570a_100020621405_100000185772 [1,0,0,0,1,0|0,0,1]=3 76 B20R3.368533 CCCSc1c2ccccc2cc3c1cccc3 62a_100000210303_100000185772 [1,0,0,0,1,0|1,0,0]=3 77 B20R3.368533 CCSCc1c2ccccc2cc3c1cccc3 62a_100000210202_100009992879 [1,0,0,0,1,0|1,0,1]=4 78 B20R3.368533 CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000210202 [1,0,0,0,1,0|1,0,1]=4 79 B20R3.368533 CSCSc1c2ccccc2cc3c1cccc3 62a_100011218213_100000185772 [1,0,0,0,1,0|2,0,0]=4 80 B20R3.368533 FCCSc1c2ccccc2cc3c1cccc3 62a_100011217306_100000185772 [1,0,0,0,1,0|2,0,0]=4