0 B16R0.303 C#CCSCCCCCCCCCCCCC 62a_100000038162_100011934334 [1,0,0,0,0,0|2,0,1]=4 1 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_100011217306_102130925996 [1,0,0,0,0,0|2,0,1]=4 2 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_102130925996_100011217306 [1,0,0,0,0,0|2,0,1]=4 3 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [1,0,0,0,0,0|3,0,0]=4 4 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [1,0,0,0,0,0|3,0,0]=4 5 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [1,0,0,0,0,0|3,0,0]=4 6 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [1,0,0,0,0,0|3,0,0]=4 7 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [1,0,0,0,0,0|2,1,0]=4 8 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [1,0,0,0,0,0|2,1,0]=4 9 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [1,0,0,0,0,0|2,1,0]=4 10 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [1,0,0,0,0,0|3,0,0]=4 11 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [1,0,0,0,0,0|3,0,0]=4 12 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [1,0,0,0,0,0|3,0,0]=4 13 B16R0.303 CCCCCCCCCCCCCOCCBr 34a_100000211926_100000210684 [1,0,0,0,0,0|2,1,0]=4 14 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [1,0,0,0,0,0|2,1,0]=4 15 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [1,0,0,0,0,0|2,1,0]=4 16 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [1,0,0,0,0,0|2,1,0]=4 17 B16R0.303 CCCCCCCCCCCCCOCCF 34a_100000185773_100011217306 [1,0,0,0,0,0|2,1,0]=4 18 B16R0.303 CCCCCCCCCCCCCOCCF 7a_100000185773_100011217306 [1,0,0,0,0,0|2,1,0]=4 19 B16R0.303 CCCCCCCCCCCCCSCC#N 62a_100011215382_100011934334 [1,0,0,0,0,0|2,0,1]=4 20 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [1,0,0,0,0,0|1,0,2]=4 21 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [1,0,0,0,0,0|1,0,0]=2 22 B16R0.303 CCCCCCCCCCCCCSCOC 62a_100000766300_100011934334 [1,0,0,0,0,0|3,0,0]=4 23 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [1,0,0,0,0,0|3,0,0]=4 24 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000210809_100000757381 [1,0,0,0,0,0|3,0,0]=4 25 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000212035_100011215454 [1,0,0,0,0,0|3,0,0]=4 26 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000210809_100000757381 [1,0,0,0,0,0|3,0,0]=4 27 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000212035_100011215454 [1,0,0,0,0,0|3,0,0]=4 28 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [1,0,0,0,0,0|3,0,0]=4 29 B16R0.303 CCCCCCCCCCOCCCSCC 34a_100011216438_100000210320 [1,0,0,0,0,0|3,0,0]=4 30 B16R0.303 CCCCCCCCCCOCCCSCC 7a_100011216438_100000210320 [1,0,0,0,0,0|3,0,0]=4 31 B16R0.303 CCCCCCCCCCOCCSCCC 34a_200000230433_100000210320 [1,0,0,0,0,0|3,0,0]=4 32 B16R0.303 CCCCCCCCCCOCCSCCC 7a_200000230433_100000210320 [1,0,0,0,0,0|3,0,0]=4 33 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [1,0,0,0,0,0|3,0,0]=4 34 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [1,0,0,0,0,0|3,0,0]=4 35 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [1,0,0,0,0,0|3,0,0]=4 36 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [1,0,0,0,0,0|3,0,0]=4 37 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [1,0,0,0,0,0|3,0,0]=4 38 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [1,0,0,0,0,0|3,0,0]=4 39 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [1,0,0,0,0,0|3,0,0]=4 40 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [1,0,0,0,0,0|3,0,0]=4 41 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [1,0,0,0,0,0|3,0,0]=4 42 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [1,0,0,0,0,0|3,0,0]=4 43 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [1,0,0,0,0,0|3,0,0]=4 44 B16R0.303 CCCOCCCCCCCCCCCCBr 34a_100009813331_100000210303 [1,0,0,0,0,0|2,1,0]=4 45 B16R0.303 CCCOCCCCCCCCCCCCBr 7a_100009813331_100000210303 [1,0,0,0,0,0|2,1,0]=4 46 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [1,0,0,0,0,0|1,0,0]=2 47 B16R0.303 CCOCCCCCCCCCCCCCBr 34a_100009812470_100000210202 [1,0,0,0,0,0|2,1,0]=4 48 B16R0.303 CCOCCCCCCCCCCCCCBr 7a_100009812470_100000210202 [1,0,0,0,0,0|2,1,0]=4 49 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [1,0,0,0,0,0|1,0,0]=2 50 B16R0.303 CCSCCOCCCCCCCCCCBr 34a_100009813290_100000757381 [1,0,0,0,0,0|3,0,0]=4 51 B16R0.303 CCSCCOCCCCCCCCCCBr 7a_100009813290_100000757381 [1,0,0,0,0,0|3,0,0]=4 52 B16R0.303 CCSCCOCCCCCCCCCCCl 34a_200000033068_100000757381 [1,0,0,0,0,0|3,0,0]=4 53 B16R0.303 CCSCCOCCCCCCCCCCCl 7a_200000033068_100000757381 [1,0,0,0,0,0|3,0,0]=4 54 B16R0.303 FCCOCCCCCCCCCCCCBr 34a_100009813331_100011217306 [1,0,0,0,0,0|2,1,0]=4 55 B16R0.303 FCCOCCCCCCCCCCCCBr 7a_100009813331_100011217306 [1,0,0,0,0,0|2,1,0]=4 56 B18R0.221 CC#CCSCCCCCCCCCCCCCO 62a_100009812470_100000748600 [0,1,0,0,0,0|2,0,1]=4 57 B18R1.13035 OCCCCCCCCCCCCCSC1CC1 62a_100009812470_100000211595 [0,0,0,1,0,0|2,0,0]=3 58 B15R0.70 C#CCSCCCCCCCCCCCC 62a_100000038162_100000759014 [2,0,0,0,0,0|1,0,1]=4 59 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [2,0,0,0,0,0|1,0,1]=4 60 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [2,0,0,0,0,0|1,0,1]=4 61 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [2,0,0,0,0,0|1,0,1]=4 62 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [2,0,0,0,0,0|1,1,0]=4 63 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [2,0,0,0,0,0|1,1,0]=4 64 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [2,0,0,0,0,0|1,1,0]=4 65 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [2,0,0,0,0,0|2,0,0]=4 66 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [2,0,0,0,0,0|1,1,0]=4 67 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [2,0,0,0,0,0|1,1,0]=4 68 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [2,0,0,0,0,0|1,1,0]=4 69 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [2,0,0,0,0,0|1,1,0]=4 70 B15R0.70 CCCCCCCCCCCCSCC#N 62a_100011215382_100000759014 [2,0,0,0,0,0|1,0,1]=4 71 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [2,0,0,0,0,0|1,0,0]=3 72 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [2,0,0,0,0,0|2,0,0]=4 73 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [2,0,0,0,0,0|2,0,0]=4 74 B15R0.70 CCCCCCCCCCSCCSCC 62a_100000757381_100000210320 [2,0,0,0,0,0|2,0,0]=4 75 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [2,0,0,0,0,0|1,1,0]=4 76 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [2,0,0,0,0,0|1,1,0]=4 77 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [1,1,0,0,0,0|1,0,1]=4 78 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [1,1,0,0,0,0|1,0,1]=4 79 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_100011218427_102130925996 [1,1,0,0,0,0|1,0,1]=4 80 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_102130925996_100011218427 [1,1,0,0,0,0|1,0,1]=4 81 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_102130925996 [1,1,0,0,0,0|1,0,1]=4 82 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_102130925996_100009817552 [1,1,0,0,0,0|1,0,1]=4 83 B17R0.43 CC(C)CSCCCCCCCCCCCCO 62a_100009813331_100000210760 [1,1,0,0,0,0|1,0,0]=3 84 B17R0.43 CC(C)SCCCCCCCCCCCCCO 62a_100009812470_100000210206 [1,1,0,0,0,0|1,0,0]=3 85 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [1,1,0,0,0,0|1,0,0]=3 86 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [1,1,0,0,0,0|1,0,0]=3 87 B17R0.195 C=CCCCCCCCCCCCSC(C)CO 62a_100012180447_102130925996 [1,1,0,0,0,0|1,0,1]=4 88 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_102130925996 [1,1,0,0,0,0|1,0,1]=4 89 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_102130925996_100016084084 [1,1,0,0,0,0|1,0,1]=4 90 B17R0.195 CCC(C)SCCCCCCCCCCCCO 62a_100009813331_100000758301 [1,1,0,0,0,0|1,0,0]=3 91 B17R0.195 CCCCCCCCCCCCCSC(C)CO 62a_100012180447_100011934334 [1,1,0,0,0,0|1,0,0]=3 92 B17R0.195 CCCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011934334 [1,1,0,0,0,0|1,0,0]=3 93 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_100000211926_200011217028 [1,1,0,0,0,0|1,0,0]=3 94 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_200011217028_100000211926 [1,1,0,0,0,0|1,0,0]=3 95 B19R0.3102 OCCCCCCCCCCCCCSCC(F)(F)F 62a_100009812470_100000763148 [0,2,0,0,0,0|2,0,0]=4 96 B19R0.36 CCC#CCSCCCCCCCCCCCCCO 62a_100009812470_100009813939 [0,2,0,0,0,0|2,0,0]=4 97 B19R1.3745 CCCCSCCCCCCCCCC1OCCO1 62a_100000210211_103619048131 [0,1,0,1,0,0|1,1,0]=4 98 B19R1.27378 OCCCCCCCCCCCCCSC1CCC1 62a_100009812470_100000749161 [0,1,0,1,0,0|2,0,0]=4 99 B19R1.62988 CCC(C)SCCCCCCCCCC1OCCO1 62a_100000758301_103619048131 [0,1,0,1,0,0|1,1,0]=4 100 B19R1.275 CCCSCCCCCCCCOC1CCCCO1 62a_100000210303_200009814348 [0,1,0,1,0,0|2,0,0]=4 101 B19R1.275 CCCSCCCCCCCCOC1CCCCO1 62a_200009814348_100000210303 [0,1,0,1,0,0|2,0,0]=4