Row26 RDKit 2D 34 36 0 0 0 0 0 0 0 0999 V2000 3246.5916 6406.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3245.3662 6406.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3246.7197 6406.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3246.7998 6407.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3247.9270 6408.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3248.8945 6407.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3247.4709 6407.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3248.1497 6409.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3246.9885 6410.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3247.7317 6411.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3247.0798 6413.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3248.0654 6414.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3249.2134 6411.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3250.1682 6412.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3249.5532 6410.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3246.6523 6406.3164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3245.3853 6405.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3244.3198 6406.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3246.6689 6406.3120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3249.7959 6406.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3247.2122 6409.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3246.0039 6410.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3246.7268 6409.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3246.7322 6411.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3246.0942 6413.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3246.7771 6414.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3247.6345 6415.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3250.1787 6411.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3249.7097 6413.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3250.4434 6409.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3250.3418 6410.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3247.4314 6405.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3243.9453 6407.1616 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3243.9453 6407.1616 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 3 7 1 0 8 5 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 8 15 1 0 4 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 2 19 1 0 6 20 1 0 8 21 1 1 9 22 1 0 9 23 1 0 10 24 1 1 11 25 1 0 11 26 1 0 12 27 1 0 13 28 1 6 14 29 1 0 15 30 1 0 15 31 1 0 16 32 1 0 18 33 1 0 18 34 1 0 M END > 100018-53-9 > 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]- > C11H15N5O3 > 265.27 > > 1.92??0.1 g/cm3 Temp: 20 ??C; Press: 760 Torr > 9.64??0.20 Most Acidic Temp: 25 ??C > 229-230 ??C > > > true > 184.931227965777 > 0 $$$$ Row50 RDKit 2D 51 52 0 0 0 0 0 0 0 0999 V2000 4139.8794 4612.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.6240 4612.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4139.9736 4612.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4138.5264 4612.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4138.0474 4611.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4139.3374 4611.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4140.5405 4612.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4140.1138 4613.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.4253 4613.2964 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0 4136.7651 4612.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4136.0400 4614.5054 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0 4137.6118 4615.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.6104 4613.7642 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0 4139.9023 4614.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4139.1709 4616.3789 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0 4137.7681 4615.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4140.7407 4617.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.6489 4617.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4139.5088 4612.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4137.1851 4612.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4135.3926 4615.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4134.5640 4613.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.2393 4614.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.6338 4611.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4139.2686 4609.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4138.2266 4608.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4138.2656 4611.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4140.7261 4611.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4139.9751 4612.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4140.7969 4611.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4138.6084 4612.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4137.9131 4613.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4137.8730 4613.9277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4139.1108 4611.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4140.2222 4610.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4141.4946 4611.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4140.7144 4611.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4140.7002 4618.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4137.6494 4618.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4137.4111 4611.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4134.7324 4612.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4139.6104 4611.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4138.3672 4610.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4138.6035 4607.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4137.2969 4610.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4139.2344 4611.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4141.2788 4610.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4141.7666 4611.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4140.4360 4610.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4139.8027 4611.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4137.3203 4614.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 4 3 1 0 4 5 1 0 5 6 1 0 6 7 1 0 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 15 18 1 0 13 19 2 0 13 20 1 0 11 21 2 0 11 22 1 0 9 23 2 0 9 24 1 0 6 25 1 0 25 26 1 0 25 27 1 0 4 27 1 0 3 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 2 33 1 0 4 34 1 1 6 35 1 1 7 36 1 0 7 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 22 41 1 0 24 42 1 0 25 43 1 6 26 44 1 0 27 45 1 0 27 46 1 0 28 47 1 0 30 48 1 0 30 49 1 0 30 50 1 0 33 51 1 0 M END > 10003-95-9 > Thymidine 5???-(pentahydrogen tetraphosphate) > C10H18N2O17P4 > 562.15 > > 2.015??0.06 g/cm3 Temp: 20 ??C; Press: 760 Torr > 0.73??0.50 Most Acidic Temp: 25 ??C > > > > true > 1273.4336778158106 > 0 $$$$ Row55 RDKit 2D 33 34 0 0 0 0 0 0 0 0999 V2000 3957.2305 5292.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3956.7356 5294.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3955.3972 5294.2871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3954.8528 5295.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3955.6699 5296.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3957.0347 5296.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3957.5166 5295.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3957.5474 5295.2065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3955.0212 5295.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3954.5371 5293.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3953.0869 5293.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3952.5669 5292.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3951.0933 5291.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3950.9424 5290.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3952.5237 5289.6982 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0 3953.1516 5291.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3954.0115 5288.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3951.8210 5288.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3953.7688 5291.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3953.9670 5292.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3955.1323 5291.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3953.8589 5295.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3958.5393 5295.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3955.5295 5292.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3952.4084 5291.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3950.3440 5292.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3950.1606 5291.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3954.7527 5289.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3952.5400 5287.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3953.9109 5292.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3953.0813 5293.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3956.0286 5291.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3955.0349 5290.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 2 8 1 0 5 9 1 0 10 3 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 15 18 1 0 12 19 1 0 19 20 1 0 19 21 1 0 10 21 1 0 4 22 1 0 8 23 1 0 10 24 1 1 12 25 1 6 13 26 1 0 13 27 1 0 17 28 1 0 18 29 1 0 19 30 1 1 20 31 1 0 21 32 1 0 21 33 1 0 M ISO 2 2 14 9 2 M END > 1000615-53-1 > 5???-Uridylic-2-14C-5-d acid, 2???-deoxy- > C9H12DN2O8P > > > > > > > > true > 458.52759496355793 > 0 $$$$