Mrv1533004241512542D 15 17 0 0 0 0 999 V2000 4.4703 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -1.1567 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 7 15 1 0 0 0 0 10 15 1 0 0 0 0 M END > NP0272732 > NP-MRD > OCC1=NC=CC2C1NC1=CC=CC=C21 > InChI=1S/C12H12N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,9,12,14-15H,7H2 > INDULJXZEHWXFH-UHFFFAOYSA-N > C12H12N2O > 200.241 > 200.094963014 > 3 > 27 > 21.32917394173037 > 1 > 2 > 0 > 1 > {4aH,9H,9aH-pyrido[3,4-b]indol-1-yl}methanol > 1.11 > 0.827986089666667 > -2.52 > 0 > 3 > 0 > 16.953168187254647 > 14.490894028337447 > 6.114863059644314 > 44.620000000000005 > 60.43150000000001 > 1 > 1 > 6.05e-01 g/l > 4aH,9H,9aH-pyrido[3,4-b]indol-1-ylmethanol > 0 > NP0272732 > 4ah,9h,9ah-pyrido[3,4-b]indol-1-ylmethanol $$$$