HMDB0252245 RDKit 3D Roxadustat 42 44 0 0 0 0 0 0 0 0999 V2000 -0.4551 -3.2565 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 -1.9809 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 -1.9547 0.1056 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3549 -0.7866 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 -0.9292 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -2.1133 -0.4336 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 0.1114 -0.2676 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.1918 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 1.0808 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 2.1471 -0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 1.0820 -0.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 0.4133 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 1.5904 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 0.4238 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 1.5982 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 1.5862 1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 0.4174 1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 0.3425 1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 0.4531 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 -0.6311 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -0.4645 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 0.7623 -1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 1.8607 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 1.7077 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -0.7494 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.7836 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -3.3793 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 -3.3828 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -4.0803 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 1.0871 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -0.9452 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -0.6140 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 0.3202 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 2.5069 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 2.5425 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 2.5118 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6073 -1.6126 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1145 -1.3396 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9023 0.9238 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1523 2.8593 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 2.5874 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -1.7205 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 4 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 17 25 1 0 25 26 2 0 26 2 1 0 26 14 1 0 24 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 11 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 23 40 1 0 24 41 1 0 25 42 1 0 M END