Mrv1652309022217112D 18 20 0 0 1 0 999 V2000 5.5322 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -2.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -1.1567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1113 -1.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.2410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 10 18 1 0 0 0 0 M END > NP0157740 > NP-MRD > COC[C@H](O)C1=NC=CC2=C1NC1=C2C=CC=C1 > InChI=1S/C14H14N2O2/c1-18-8-12(17)14-13-10(6-7-15-14)9-4-2-3-5-11(9)16-13/h2-7,12,16-17H,8H2,1H3/t12-/m0/s1 > QZQZNYPPPNBAEP-LBPRGKRZSA-N > C14H14N2O2 > 242.278 > 242.105527699 > 3 > 32 > 25.936115704514897 > 1 > 2 > 0 > 1 > (1R)-2-methoxy-1-{9H-pyrido[3,4-b]indol-1-yl}ethan-1-ol > 2.11 > 1.3523161646666666 > -2.98 > 0 > 3 > 0 > 13.493653783933652 > 12.645294318655896 > 4.746772714973272 > 58.14 > 68.39779999999999 > 3 > 1 > 2.52e-01 g/l > (1R)-2-methoxy-1-{9H-pyrido[3,4-b]indol-1-yl}ethanol > 0 > NP0157740 > (1r)-2-methoxy-1-{9h-pyrido[3,4-b]indol-1-yl}ethanol $$$$