HMDB0060387 RDKit 3D 4-Glutathionyl cyclophosphamide 64 64 0 0 0 0 0 0 0 0999 V2000 -5.3487 0.4683 1.1408 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 1.6757 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9271 2.4543 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 1.6133 1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 1.2364 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 2.2820 -1.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9807 0.0372 -0.5326 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -1.1467 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -1.6149 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -2.0288 0.4778 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -0.7420 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -0.1726 -1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 1.3160 -1.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 1.5653 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 0.3959 -0.7266 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1276 0.2691 -2.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 0.7247 0.1876 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 -0.3723 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 -0.3208 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 -0.4550 -0.1529 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3164 2.0108 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 3.0739 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2878 4.6504 0.5224 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 -1.1288 -0.1934 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 -2.2899 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 -2.3247 -1.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -3.2301 -0.8749 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 -4.3486 -1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 -5.6273 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 -6.7150 -1.5216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6694 -5.5885 0.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2211 2.5846 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3237 2.2991 0.9276 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1413 3.7943 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4027 0.3594 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 0.5762 2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 1.3859 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 3.3902 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 2.6725 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 2.2408 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 0.7258 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3185 2.2437 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.0382 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 -0.8654 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 -2.5424 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 0.1489 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 -0.6694 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.3782 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 1.6374 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 1.8554 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -0.3675 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -1.3308 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3213 0.5983 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -1.2098 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 2.1425 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 2.1930 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9247 2.9770 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1864 3.0478 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3169 -1.3653 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -2.2949 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -4.3878 -2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -4.1902 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -5.9362 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 4.0357 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 17 21 1 0 21 22 1 0 22 23 1 0 15 24 1 0 8 25 1 0 25 26 1 0 25 27 2 3 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 2 32 1 0 32 33 2 0 32 34 1 0 24 11 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 6 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 24 59 1 0 26 60 1 0 28 61 1 0 28 62 1 0 31 63 1 0 34 64 1 0 M END