0 B18R0.182 CCCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100011215765_100009817235 [1,0,0,0,0,0|2,0,1]=4 1 B18R0.182 CCCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000185773_100009817235 [1,0,0,0,0,0|2,0,1]=4 2 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100011934334 [1,0,0,0,0,0|3,0,0]=4 3 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011934334 [1,0,0,0,0,0|2,0,1]=4 4 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000210451_100000731031 [1,0,0,0,0,0|2,0,1]=4 5 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215052 [1,0,0,0,0,0|2,0,1]=4 6 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 270004a_100000740961_100011218549 [1,0,0,0,0,0|2,0,1]=4 7 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000210451_100000731031 [1,0,0,0,0,0|2,0,1]=4 8 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000759014 [1,0,0,0,0,0|2,0,1]=4 9 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215052 [1,0,0,0,0,0|2,0,1]=4 10 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 270004a_100000738205_100011218549 [1,0,0,0,0,0|2,0,1]=4 11 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000759014 [1,0,0,0,0,0|2,0,1]=4 12 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000210451_100000737633 [1,0,0,0,0,0|1,0,2]=4 13 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000210451_100000762736 [1,0,0,0,0,0|1,0,2]=4 14 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210810_100000731031 [1,0,0,0,0,0|1,0,1]=3 15 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000759014 [1,0,0,0,0,0|1,0,1]=3 16 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210810_100000230027 [1,0,0,0,0,0|1,0,1]=3 17 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000759014 [1,0,0,0,0,0|1,0,1]=3 18 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000759014 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210810_100000762736 [1,0,0,0,0,0|0,0,2]=3 20 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000759014 [1,0,0,0,0,0|1,1,1]=4 21 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000759014 [1,0,0,0,0,0|0,1,2]=4 22 B18R0.182 CCOCCCCCCCCCOCCS(=O)(=O)C 34a_100009875440_100000731031 [1,0,0,0,0,0|2,0,1]=4 23 B18R0.182 CCOCCCCCCCCCOCCS(=O)(=O)C 7a_100009875440_100000230027 [1,0,0,0,0,0|2,0,1]=4 24 B18R0.182 CCOCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100009875440_100000762736 [1,0,0,0,0,0|1,0,2]=4 25 B18R0.182 CS(=O)(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731031 [1,0,0,0,0,0|2,0,1]=4 26 B18R0.182 CS(=O)(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000230027 [1,0,0,0,0,0|2,0,1]=4 27 B18R0.182 CS(=O)(=O)CCOCCCCCCCCCCCO 34a_100000211924_100009812471 [1,0,0,0,0,0|2,0,1]=4 28 B18R0.182 CS(=O)(=O)CCOCCCCCCCCCCCO 7a_100000211924_100009812471 [1,0,0,0,0,0|2,0,1]=4 29 B18R0.182 NS(=O)(=O)CCOCCCCCCCCCCCO 34a_100012334274_100009812471 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.182 O=S(=O)([O-])CCOCCCCCCCCCCCBr 34a_100009812471_100000762736 [1,0,0,0,0,0|1,0,2]=4 31 B18R0.188 C=CCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011093070 [1,0,0,0,0,0|1,0,2]=4 32 B18R0.188 CCCCC#CCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_200000043322 [1,0,0,0,0,0|1,0,2]=4 33 B18R0.188 CCCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000759014 [1,0,0,0,0,0|1,0,0]=2 34 B18R0.188 CCCCCCCCCCCCC(=O)CS(=O)(=O)N 1458a_100011215791_100000741382 [1,0,0,0,0,0|1,0,0]=2 35 B18R0.188 CCCCCCCCCCCCC(=O)CS(=O)(=O)[O-] 1458a_100011215791_100009817235 [1,0,0,0,0,0|0,0,1]=2 36 B18R0.188 CCCCCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100011215791 [1,0,0,0,0,0|2,0,0]=3 37 B18R0.188 CCCCCCCCCCCNC(=O)CS(=O)(=O)C 11a_200011215754_100000744497 [1,0,0,0,0,0|2,0,0]=3 38 B18R0.188 CCCCCCCCCCCNC(=O)CS(=O)(=O)C 240690a_200011215754_100000744497 [1,0,0,0,0,0|2,0,0]=3 39 B18R0.188 CCCCCCCCCCCNC(=O)CS(=O)(=O)C 527a_200011215754_100000744497 [1,0,0,0,0,0|2,0,0]=3 40 B18R0.188 CCCCCCCCCCOCC(=O)NS(=O)(=O)C 7a_100000210711_100009907230 [1,0,0,0,0,0|3,0,0]=4 41 B18R0.188 CCCCCCCCCCSCC(=O)NS(=O)(=O)C 62a_100009907230_100000210320 [1,0,0,0,0,0|3,0,0]=4 42 B18R0.188 CS(=O)(=O)CC(=O)CCCCCCCCCCCO 1458a_100000744497_100009812471 [1,0,0,0,0,0|2,0,0]=3 43 B18R0.188 CS(=O)(=O)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000744497 [1,0,0,0,0,0|3,0,0]=4 44 B18R0.188 CS(=O)(=O)NC(=O)CCCCCCCCCCCO 2740a_100000171171_100000037981 [1,0,0,0,0,0|3,0,0]=4 45 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100000756256_100000187820 [1,0,0,0,0,0|3,0,0]=4 46 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210684 [1,0,0,0,0,0|3,0,0]=4 47 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000756256_100020667443 [1,0,0,0,0,0|2,0,1]=4 48 B18R0.220 CCCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000756256_100000761209 [1,0,0,0,0,0|2,0,1]=4 49 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 240690a_100000210451_100134613110 [1,0,0,0,0,0|3,0,0]=4 50 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 527a_100000210451_100134613110 [1,0,0,0,0,0|3,0,0]=4 51 B18R0.220 CCCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000210451_100011933948 [1,0,0,0,0,0|3,0,0]=4 52 B18R0.220 CCCCCCCCCNCCOC(=O)CC(=O)C 34a_100000212291_100000102702 [1,0,0,0,0,0|3,0,0]=4 53 B18R0.220 CCCCCCCCCOCCOC(=O)CC(=O)C 34a_100000210712_100000102702 [1,0,0,0,0,0|3,0,0]=4 54 B18R0.220 CCCCCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210670 [1,0,0,0,0,0|3,0,0]=4 55 B17R0.197 CCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000210451_100009817235 [2,0,0,0,0,0|1,0,1]=4 56 B17R0.197 CCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210810_100009817235 [2,0,0,0,0,0|0,0,1]=3 57 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000759014 [2,0,0,0,0,0|1,1,0]=4 58 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000759014 [2,0,0,0,0,0|0,1,1]=4 59 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210809_100000731031 [2,0,0,0,0,0|1,0,1]=4 60 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011215454 [2,0,0,0,0,0|1,0,1]=4 61 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210809_100000230027 [2,0,0,0,0,0|1,0,1]=4 62 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100011215454 [2,0,0,0,0,0|1,0,1]=4 63 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011215454 [2,0,0,0,0,0|1,0,1]=4 64 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210809_100000762736 [2,0,0,0,0,0|0,0,2]=4 65 B17R0.197 CCOCCCCCCCCCOCS(=O)(=O)[O-] 34a_100009875440_100009817235 [2,0,0,0,0,0|1,0,1]=4 66 B17R0.197 O=S(=O)([O-])COCCCCCCCCCCCBr 34a_100009812471_100009817235 [2,0,0,0,0,0|1,0,1]=4 67 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [2,0,0,0,0,0|2,0,0]=4 68 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [2,0,0,0,0,0|2,0,0]=4 69 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [2,0,0,0,0,0|1,0,1]=4 70 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [2,0,0,0,0,0|2,0,0]=4 71 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [2,0,0,0,0,0|2,0,0]=4 72 B17R0.116 CCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011215791_100000761209 [2,0,0,0,0,0|1,0,1]=4 73 B17R0.13612 CCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215454 [2,0,0,0,0,0|1,0,0]=3 74 B17R0.13612 CCCCCCCCCCCC(=O)CS(=O)(=O)N 1458a_100000210736_100000741382 [2,0,0,0,0,0|1,0,0]=3 75 B17R0.13612 CCCCCCCCCCCC(=O)CS(=O)(=O)[O-] 1458a_100000210736_100009817235 [2,0,0,0,0,0|0,0,1]=3 76 B17R0.13612 CCCCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210736 [2,0,0,0,0,0|2,0,0]=4 77 B17R0.13612 CCCCCCCCCCNC(=O)CS(=O)(=O)C 11a_100000684558_100000744497 [2,0,0,0,0,0|2,0,0]=4 78 B17R0.13612 CCCCCCCCCCNC(=O)CS(=O)(=O)C 240690a_100000684558_100000744497 [2,0,0,0,0,0|2,0,0]=4 79 B17R0.13612 CCCCCCCCCCNC(=O)CS(=O)(=O)C 527a_100000684558_100000744497 [2,0,0,0,0,0|2,0,0]=4 80 B17R0.13612 CS(=O)(=O)CC(=O)CCCCCCCCCCO 1458a_100000744497_100009813290 [2,0,0,0,0,0|2,0,0]=4 81 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [2,0,0,0,0,0|2,0,0]=4 82 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [2,0,0,0,0,0|2,0,0]=4 83 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [2,0,0,0,0,0|2,0,0]=4 84 B19R1.82088 CS(=O)(=O)CCOC1CCCCCCCCCCC1 34a_100000211378_100000731031 [1,0,0,1,0,0|1,0,1]=4 85 B19R1.82088 CS(=O)(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000230027 [1,0,0,1,0,0|1,0,1]=4 86 B19R1.82088 O=S(=O)([O-])CCOC1CCCCCCCCCCC1 34a_100000211378_100000762736 [1,0,0,1,0,0|0,0,2]=4 87 B19R1.418908 CCCCCCCCCCCCOC1CS(=O)(=O)C1 34a_100000072295_100000759014 [1,0,0,1,0,0|1,0,1]=4 88 B19R1.418908 CCCCCCCCCCCCOC1CS(=O)(=O)C1 7a_100000072295_100000759014 [1,0,0,1,0,0|1,0,1]=4