0 B19R0.3108 C=CCCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_102130925996 [0,0,0,0,0,0|2,0,2]=4 1 B19R0.3108 CCCCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210684 [0,0,0,0,0,0|2,0,0]=2 2 B19R0.3108 CCCCCCCCCCCCCC(=O)CS(=O)(=O)N 1458a_100000756256_100000741382 [0,0,0,0,0,0|2,0,0]=2 3 B19R0.3108 CCCCCCCCCCCCCC(=O)CS(=O)(=O)[O-] 1458a_100000756256_100009817235 [0,0,0,0,0,0|1,0,1]=2 4 B19R0.3108 CCCCCCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000756256 [0,0,0,0,0,0|3,0,0]=3 5 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)O 527a_100000210451_100000693243 [0,0,0,0,0,0|4,0,0]=4 6 B19R0.3108 CCCCCCCCCCCCNC(=O)CS(=O)(=O)C 11a_100000210451_100000744497 [0,0,0,0,0,0|2,0,0]=2 7 B19R0.3108 CCCCCCCCCCCCNC(=O)CS(=O)(=O)C 240690a_100000210451_100000744497 [0,0,0,0,0,0|2,0,0]=2 8 B19R0.3108 CCCCCCCCCCCCNC(=O)CS(=O)(=O)C 527a_100000210451_100000744497 [0,0,0,0,0,0|2,0,0]=2 9 B19R0.3108 CCCCCCCCCCCOCC(=O)NS(=O)(=O)C 7a_100000210809_100009907230 [0,0,0,0,0,0|4,0,0]=4 10 B19R0.3108 CCCCCCCCCCCSCC(=O)NS(=O)(=O)C 62a_100009907230_100011215454 [0,0,0,0,0,0|4,0,0]=4 11 B19R0.3108 CS(=O)(=O)CC(=O)CCCCCCCCCCCCO 1458a_100000744497_100009813331 [0,0,0,0,0,0|3,0,0]=3 12 B19R0.3108 CS(=O)(=O)CC(=O)CCCCCCOCCCCCO 1458a_100000744497_200132310570 [0,0,0,0,0,0|4,0,0]=4 13 B19R0.3108 CS(=O)(=O)NC(=O)CCCCCCCCCCCCO 2740a_100000171171_100102582631 [0,0,0,0,0,0|4,0,0]=4 14 B20R0.8496 CCCCCCCCCCCC(O)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000082106 [0,1,0,0,0,0|3,0,0]=4 15 B20R0.22212 CCCCCCCCCCCCCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000756256 [0,1,0,0,0,0|3,0,0]=4 16 B20R0.22212 CCCCCCCCCCCCNC(=O)CS(=O)(=O)CC 11a_100000210451_100000744335 [0,1,0,0,0,0|2,0,0]=3 17 B20R0.22212 CCCCCCCCCCCCNC(=O)CS(=O)(=O)CC 1626a_100000210451_100000744335 [0,1,0,0,0,0|2,0,0]=3 18 B20R0.22212 CCCCCCCCCCCCNC(=O)CS(=O)(=O)CC 240690a_100000210451_100000744335 [0,1,0,0,0,0|2,0,0]=3 19 B20R0.22212 CCCCCCCCCCCCNC(=O)CS(=O)(=O)CC 527a_100000210451_100000744335 [0,1,0,0,0,0|2,0,0]=3 20 B20R0.28261 CCCCCCCCCCCCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_200011217028 [0,1,0,0,0,0|2,0,0]=3 21 B20R0.28261 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)C 11a_100000227908_100000744497 [0,1,0,0,0,0|2,0,0]=3 22 B20R0.28261 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)C 240690a_100000227908_100000744497 [0,1,0,0,0,0|2,0,0]=3 23 B20R0.28261 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)C 527a_100000227908_100000744497 [0,1,0,0,0,0|2,0,0]=3 24 B20R0.32515 CCCCCCCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000297455 [0,1,0,0,0,0|3,0,0]=4 25 B20R0.32515 CCCCCCCCCCCCCNC(=O)CS(=O)(=O)C 11a_100011215765_100000744497 [0,1,0,0,0,0|2,0,0]=3 26 B20R0.32515 CCCCCCCCCCCCCNC(=O)CS(=O)(=O)C 240690a_100011215765_100000744497 [0,1,0,0,0,0|2,0,0]=3 27 B20R0.32515 CCCCCCCCCCCCCNC(=O)CS(=O)(=O)C 527a_100011215765_100000744497 [0,1,0,0,0,0|2,0,0]=3 28 B20R0.32515 CCCCCCCCCCCCOCC(=O)NS(=O)(=O)C 7a_100000210810_100009907230 [0,1,0,0,0,0|2,0,0]=3 29 B20R0.32515 CCCCCCCCCCCCSCC(=O)NS(=O)(=O)C 62a_100009907230_100000759014 [0,1,0,0,0,0|2,1,0]=4 30 B20R0.32515 CCOCCCCCCCCCOCC(=O)NS(=O)(=O)C 7a_100009875440_100009907230 [0,1,0,0,0,0|3,0,0]=4 31 B20R0.32515 CS(=O)(=O)CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000744497 [0,1,0,0,0,0|2,0,0]=3 32 B20R0.32515 CS(=O)(=O)NC(=O)CCCCCCCCCCCCCO 2740a_100000171171_100020644313 [0,1,0,0,0,0|3,0,0]=4 33 B20R0.32515 CS(=O)(=O)NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100009907230 [0,1,0,0,0,0|3,0,0]=4 34 B20R0.44091 CCCCCCCCCCCCNS(=O)(=O)CS(=O)(=O)C 274078a_100000210451_100000037191 [0,1,0,0,0,0|3,0,0]=4 35 B20R1.201660 CCCCCCCCCCCCOC1C=CS(=O)(=O)C1 34a_100000012158_100000759014 [0,0,0,1,0,0|2,0,1]=4 36 B20R1.201660 CCCCCCCCCCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000759014 [0,0,0,1,0,0|2,0,1]=4 37 B20R1.201660 CCCCCCCCCCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000759014 [0,0,0,1,0,0|2,0,1]=4 38 B20R1.430059 CS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000744497 [0,0,0,1,0,0|2,0,0]=3 39 B20R1.430059 CS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000744497 [0,0,0,1,0,0|2,0,0]=3 40 B20R1.430059 CS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000744497 [0,0,0,1,0,0|2,0,0]=3 41 B20R0.22322 CCCCCCCCCCCCNC(=O)CCS(=O)(=O)C 11a_100000210451_100000737124 [0,0,0,0,0,1|2,0,0]=3 42 B20R0.22322 CCCCCCCCCCCCNC(=O)CCS(=O)(=O)C 1626a_100000210451_100000737124 [0,0,0,0,0,1|2,0,0]=3 43 B20R0.22322 CCCCCCCCCCCCNC(=O)CCS(=O)(=O)C 240690a_100000210451_100000737124 [0,0,0,0,0,1|2,0,0]=3 44 B20R0.22322 CCCCCCCCCCCCNC(=O)CCS(=O)(=O)C 527a_100000210451_100000737124 [0,0,0,0,0,1|2,0,0]=3 45 B20R0.22322 CCCCCCCCCCCCNC(=O)CCS(=O)(=O)N 240690a_100000210451_100000737202 [0,0,0,0,0,1|2,0,0]=3 46 B20R0.22322 CCCCCCCCCCCCNC(=O)CNS(=O)(=O)C 11a_100000210451_100000737300 [0,0,0,0,0,1|2,0,0]=3 47 B20R0.22322 CCCCCCCCCCCCNC(=O)CNS(=O)(=O)C 1626a_100000210451_100000737300 [0,0,0,0,0,1|2,0,0]=3 48 B20R0.22322 CCCCCCCCCCCCNC(=O)CNS(=O)(=O)C 240690a_100000210451_100000737300 [0,0,0,0,0,1|2,0,0]=3 49 B19R0.9211 CCCCCCCCCCCC(C)OCCS(=O)(=O)C 34a_100011217895_100000731031 [1,1,0,0,0,0|1,0,1]=4 50 B19R0.9211 CCCCCCCCCCCC(C)OCCS(=O)(=O)C 7a_100011217895_100000230027 [1,1,0,0,0,0|1,0,1]=4 51 B19R0.9211 CCCCCCCCCCCC(C)OCCS(=O)(=O)[O-] 34a_100011217895_100000762736 [1,1,0,0,0,0|0,0,2]=4 52 B19R0.8992 CCCCCCCCCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000759014 [1,1,0,0,0,0|1,0,0]=3 53 B19R0.8992 CCCCCCCCCCCCC(=O)NS(=O)(=O)CC 2740a_100000171174_100011215791 [1,1,0,0,0,0|2,0,0]=4 54 B19R0.8992 CCCCCCCCCCCNC(=O)CS(=O)(=O)CC 11a_200011215754_100000744335 [1,1,0,0,0,0|2,0,0]=4 55 B19R0.8992 CCCCCCCCCCCNC(=O)CS(=O)(=O)CC 1626a_200011215754_100000744335 [1,1,0,0,0,0|2,0,0]=4 56 B19R0.8992 CCCCCCCCCCCNC(=O)CS(=O)(=O)CC 240690a_200011215754_100000744335 [1,1,0,0,0,0|2,0,0]=4 57 B19R0.8992 CCCCCCCCCCCNC(=O)CS(=O)(=O)CC 527a_200011215754_100000744335 [1,1,0,0,0,0|2,0,0]=4 58 B19R0.8992 CCS(=O)(=O)CC(=O)CCCCCCCCCCCO 1458a_100000744335_100009812471 [1,1,0,0,0,0|2,0,0]=4 59 B19R0.35 CCCCCCCCCCNCCOC(=O)CC(=O)C 34a_100000684558_100000102702 [1,1,0,0,0,0|2,0,0]=4 60 B19R0.35 CCCCCCCCCCOCCOC(=O)CC(=O)C 34a_100000210711_100000102702 [1,1,0,0,0,0|2,0,0]=4 61 B19R0.35 CCCCCCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210320 [1,1,0,0,0,0|2,0,0]=4 62 B19R0.3096 CCCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210684 [1,1,0,0,0,0|2,0,0]=4 63 B19R0.3096 CCCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000756256_100000747449 [1,1,0,0,0,0|2,0,0]=4 64 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(=O)OC 240690a_100000210451_100000211351 [1,1,0,0,0,0|2,0,0]=4 65 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CCS(=O)(=O)C 11a_100000227908_100000737124 [0,1,0,0,0,1|2,0,0]=4 66 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CCS(=O)(=O)C 1626a_100000227908_100000737124 [0,1,0,0,0,1|2,0,0]=4 67 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CCS(=O)(=O)C 240690a_100000227908_100000737124 [0,1,0,0,0,1|2,0,0]=4 68 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CCS(=O)(=O)C 527a_100000227908_100000737124 [0,1,0,0,0,1|2,0,0]=4 69 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CCS(=O)(=O)N 240690a_100000227908_100000737202 [0,1,0,0,0,1|2,0,0]=4 70 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CNS(=O)(=O)C 11a_100000227908_100000737300 [0,1,0,0,0,1|2,0,0]=4 71 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CNS(=O)(=O)C 1626a_100000227908_100000737300 [0,1,0,0,0,1|2,0,0]=4 72 B21R0.10400 CCCCCCCCCCCCN(C)C(=O)CNS(=O)(=O)C 240690a_100000227908_100000737300 [0,1,0,0,0,1|2,0,0]=4 73 B21R0.10621 CCCCCCCCCCCCNC(=O)[C@H](C)OS(=O)(=O)C 11a_100000210451_200015292407 [0,1,0,0,0,1|2,0,0]=4 74 B21R0.10621 CCCCCCCCCCCCNC(=O)[C@H](C)OS(=O)(=O)C 1626a_100000210451_200015292407 [0,1,0,0,0,1|2,0,0]=4 75 B21R0.10621 CCCCCCCCCCCCNC(=O)[C@H](C)OS(=O)(=O)C 240690a_100000210451_200015292407 [0,1,0,0,0,1|2,0,0]=4 76 B21R0.10621 CCCCCCCCCCCCNC(=O)[C@H](C)OS(=O)(=O)C 527a_100000210451_200015292407 [0,1,0,0,0,1|2,0,0]=4 77 B21R0.18394 CCCCCCCCCCCCNC(=O)CN(C)S(=O)(=O)C 11a_100000210451_100000165953 [0,1,0,0,0,1|2,0,0]=4 78 B21R0.18394 CCCCCCCCCCCCNC(=O)CN(C)S(=O)(=O)C 1626a_100000210451_100000165953 [0,1,0,0,0,1|2,0,0]=4 79 B21R0.18394 CCCCCCCCCCCCNC(=O)CN(C)S(=O)(=O)C 240690a_100000210451_100000165953 [0,1,0,0,0,1|2,0,0]=4 80 B21R0.18394 CCCCCCCCCCCCNC(=O)CN(C)S(=O)(=O)C 527a_100000210451_100000165953 [0,1,0,0,0,1|2,0,0]=4 81 B21R0.32332 CCCCCCCCCCCC(=O)OCC(=O)CS(=O)(=O)C 1458a_100000744497_100020644155 [0,2,0,0,0,0|1,0,1]=4 82 B21R0.32332 CCCCCCCCCCCC(C)OCC(=O)NS(=O)(=O)C 7a_100011217895_100009907230 [0,2,0,0,0,0|2,0,0]=4 83 B21R0.25312 CCCCCCCCCCCCNC(=O)CS(=O)(=O)N(C)C 11a_100000210451_100000700457 [0,2,0,0,0,0|2,0,0]=4 84 B21R0.25312 CCCCCCCCCCCCNC(=O)CS(=O)(=O)N(C)C 1626a_100000210451_100000700457 [0,2,0,0,0,0|2,0,0]=4 85 B21R0.25312 CCCCCCCCCCCCNC(=O)CS(=O)(=O)N(C)C 240690a_100000210451_100000700457 [0,2,0,0,0,0|2,0,0]=4 86 B21R0.25312 CCCCCCCCCCCCNC(=O)CS(=O)(=O)N(C)C 527a_100000210451_100000700457 [0,2,0,0,0,0|2,0,0]=4 87 B21R0.46958 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)CC 11a_100000227908_100000744335 [0,2,0,0,0,0|2,0,0]=4 88 B21R0.46958 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)CC 1626a_100000227908_100000744335 [0,2,0,0,0,0|2,0,0]=4 89 B21R0.46958 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)CC 240690a_100000227908_100000744335 [0,2,0,0,0,0|2,0,0]=4 90 B21R0.46958 CCCCCCCCCCCCN(C)C(=O)CS(=O)(=O)CC 527a_100000227908_100000744335 [0,2,0,0,0,0|2,0,0]=4 91 B21R0.443902 CCCCCCCCCCCCNC(=O)C(C)S(=O)(=O)CC 11a_100000210451_100011214461 [0,2,0,0,0,0|2,0,0]=4 92 B21R0.443902 CCCCCCCCCCCCNC(=O)C(C)S(=O)(=O)CC 1626a_100000210451_100011214461 [0,2,0,0,0,0|2,0,0]=4 93 B21R0.443902 CCCCCCCCCCCCNC(=O)C(C)S(=O)(=O)CC 240690a_100000210451_100011214461 [0,2,0,0,0,0|2,0,0]=4 94 B21R0.443902 CCCCCCCCCCCCNC(=O)C(C)S(=O)(=O)CC 527a_100000210451_100011214461 [0,2,0,0,0,0|2,0,0]=4 95 B21R1.6165406 CS(=O)(=O)CCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000737124 [0,0,0,1,0,1|2,0,0]=4 96 B21R1.6165406 CS(=O)(=O)CCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000737124 [0,0,0,1,0,1|2,0,0]=4 97 B21R1.6165406 CS(=O)(=O)CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000737124 [0,0,0,1,0,1|2,0,0]=4 98 B21R1.6165406 CS(=O)(=O)CCC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000737124 [0,0,0,1,0,1|2,0,0]=4 99 B21R1.6165406 CS(=O)(=O)NCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000737300 [0,0,0,1,0,1|2,0,0]=4 100 B21R1.6165406 CS(=O)(=O)NCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000737300 [0,0,0,1,0,1|2,0,0]=4 101 B21R1.6165406 CS(=O)(=O)NCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000737300 [0,0,0,1,0,1|2,0,0]=4 102 B21R1.6165406 NS(=O)(=O)CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000737202 [0,0,0,1,0,1|2,0,0]=4 103 B21R1.3255565 CS(=O)(=O)NC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100009907230 [0,1,0,1,0,0|2,0,0]=4 104 B21R1.515471 CCS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000744335 [0,1,0,1,0,0|2,0,0]=4 105 B21R1.515471 CCS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000744335 [0,1,0,1,0,0|2,0,0]=4 106 B21R1.515471 CCS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000744335 [0,1,0,1,0,0|2,0,0]=4 107 B21R1.515471 CCS(=O)(=O)CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000744335 [0,1,0,1,0,0|2,0,0]=4 108 B21R2.257602 CS(=O)(=O)CC(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100000744497 [0,0,0,2,0,0|2,0,0]=4 109 B21R2.257602 CS(=O)(=O)CC(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000744497 [0,0,0,2,0,0|2,0,0]=4 110 B21R2.257602 CS(=O)(=O)CC(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100000744497 [0,0,0,2,0,0|2,0,0]=4 111 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 2708a_100000210451_100000740961 [0,0,0,0,0,2|2,0,0]=4 112 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 2708a_100000740961_100000210451 [0,0,0,0,0,2|2,0,0]=4 113 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 273464a_100000210451_100000740961 [0,0,0,0,0,2|2,0,0]=4 114 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 273464a_100000740961_100000210451 [0,0,0,0,0,2|2,0,0]=4 115 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 512a_100000210451_100000740961 [0,0,0,0,0,2|2,0,0]=4 116 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)C 512a_100000740961_100000210451 [0,0,0,0,0,2|2,0,0]=4 117 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)N 2708a_100000210451_100000738205 [0,0,0,0,0,2|2,0,0]=4 118 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)N 273464a_100000210451_100000738205 [0,0,0,0,0,2|2,0,0]=4 119 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)N 273464a_100000738205_100000210451 [0,0,0,0,0,2|2,0,0]=4 120 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)N 512a_100000210451_100000738205 [0,0,0,0,0,2|2,0,0]=4 121 B21R0.25514 CCCCCCCCCCCCNC(=O)NCCS(=O)(=O)N 512a_100000738205_100000210451 [0,0,0,0,0,2|2,0,0]=4