Mrv1652309062216102D 15 17 0 0 0 0 999 V2000 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 3 0 0 0 0 0 0 0 0 0 0 4.7674 0.0694 0.0000 O 0 5 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 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 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 CHG 2 3 1 4 -1 M END > NP0232815 > NP-MRD > CC1=[N+]([O-])CCC2=C1NC1=CC=CC=C21 > InChI=1S/C12H12N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-5,13H,6-7H2,1H3 > PXWYSANKZNTKON-UHFFFAOYSA-N > C12H12N2O > 200.241 > 200.094963014 > 1 > 27 > 21.954354995133812 > 1 > 1 > 0 > 0 > 1-methyl-3H,4H,9H-pyrido[3,4-b]indol-2-ium-2-olate > -1.5927579898050794 > 0 > 3 > 1 > 15.736014611629557 > 9.922656952083964 > 41.86 > 61.1453 > 0 > 1 > 1-methyl-3H,4H,9H-pyrido[3,4-b]indol-2-ium-2-olate > 0 > NP0232815 > 1-methyl-3h,4h,9h-pyrido[3,4-b]indol-2-ium-2-olate $$$$