Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.0042 1.2934 -0.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 -0.0380 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 -0.7313 -0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 -0.1022 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 1.3170 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 2.0003 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 -0.8086 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -0.1315 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 1.2720 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 1.9974 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 1.9832 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 3.0049 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 3.6686 -0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 3.3039 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2478 2.2887 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 1.6321 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 0.5297 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7555 4.7554 -1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 5.3959 -1.9365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8961 5.0714 -2.7391 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 6.3457 -2.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.7214 -0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 0.0195 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9877 7.4644 -2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 8.4005 -3.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 8.2248 -4.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 7.1118 -5.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 6.1694 -4.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0940 9.6147 -3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4471 9.3312 -3.4674 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7065 10.6830 -4.0693 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 9.9572 -1.9114 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 3.0798 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -1.8886 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.6814 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 3.0770 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 3.2827 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4366 3.8165 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0132 2.0097 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 -0.4238 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 0.7239 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.4916 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 5.1980 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.6914 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 0.6378 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 0.6553 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 -0.6832 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3613 7.6025 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0076 8.9585 -5.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6564 6.9777 -6.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1618 5.2982 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M END > (29) 29 > (29) C24H19F3N4O > (29) 436.4290696 > (29) 16970394-9 > (29) 16970394 > (29) 9 > (29) 1 > (29) VEGFR > (29) 2006 > (29) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.0173 1.2229 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 -0.1082 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -0.7931 -0.0888 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -0.1552 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 1.2641 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 1.9381 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -0.8525 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 -0.1666 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 1.2371 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 1.9536 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 1.9580 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 2.9832 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5081 3.6560 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4923 3.2969 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2573 2.2782 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 1.6126 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 0.5064 1.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7604 4.7465 -1.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 5.3959 -1.9365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 5.0576 -2.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 6.3457 -2.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -0.8006 -0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -0.0692 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9925 7.4615 -2.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 8.3976 -3.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 8.2248 -4.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0243 7.1147 -5.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 6.1723 -4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 9.6087 -3.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 7.6511 -1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2495 10.4041 -4.3978 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4702 10.3470 -2.2511 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3649 9.1992 -2.8094 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 3.0173 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 -1.9324 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 -0.7094 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 3.0334 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 3.2566 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 3.8166 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 2.0036 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -0.4440 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3589 0.7031 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7326 0.4599 2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5942 5.2044 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -1.7706 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 0.5678 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 -0.7781 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 0.5470 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0076 8.9585 -5.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6478 6.9829 -6.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1532 5.3034 -4.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4983 7.1803 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6078 8.7163 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8319 7.1938 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > (30) 30 > (30) C25H21F3N4O > (30) 450.4556496 > (30) 16970394-27 > (30) 16970394 > (30) 27 > (30) 8 > (30) VEGFR > (30) 2006 > (30) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.0165 1.2979 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.0333 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -0.7219 -0.0235 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -0.0879 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.3314 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 2.0095 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -0.7891 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7067 -0.1071 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7275 1.2964 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 2.0168 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 2.0131 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 3.0152 -0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 3.6842 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 3.3444 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 2.3485 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0045 1.6869 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 0.6059 1.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 4.7502 -1.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 5.3959 -1.9365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9103 5.0445 -2.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 6.3457 -2.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -0.7218 -0.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 0.0138 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5459 6.6159 -3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8228 7.5548 -4.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7854 8.2229 -4.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4733 7.9561 -4.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 7.0138 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 6.0320 -2.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9064 6.3924 -3.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3202 7.6670 -4.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 3.0887 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -1.8690 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -0.6530 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 3.0966 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 3.2737 -1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4134 3.8611 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9722 2.0889 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0619 -0.3555 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2928 0.8228 2.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6731 0.5684 2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.2017 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -1.6917 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2857 -0.6924 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5168 0.6517 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 0.6295 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 8.9567 -5.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6692 8.4809 -5.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1644 6.8007 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0881 6.4799 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 4.9497 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8639 6.6039 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 5.5967 -4.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5641 7.7010 -5.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7007 8.5549 -3.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > (31) 31 > (31) C26H24N4O > (31) 408.49496 > (31) 16970394-28 > (31) 16970394 > (31) 28 > (31) 48 > (31) VEGFR > (31) 2006 > (31) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 67 71 0 0 0 0 0 0 0 0999 V2000 0.5682 0.0058 -1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 -1.2996 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.7868 -0.6932 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 -0.9633 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 0.4350 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 0.8935 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -1.4475 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 -0.5773 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 0.8073 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 1.3163 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 1.7325 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 2.7186 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 3.5842 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 3.4560 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 2.4746 1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 1.6184 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 0.5541 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 4.6348 -2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 5.4707 -1.8691 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1396 4.7448 -2.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2206 6.4029 -2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 -2.1801 -1.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -1.6707 -1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 7.0178 -3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 7.9369 -4.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7854 8.2457 -4.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8201 7.6315 -4.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5391 6.7171 -3.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0627 9.1504 -5.8384 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4393 9.4621 -6.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 9.9815 -7.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0853 10.3708 -7.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4640 11.4076 -6.7362 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3430 10.9160 -5.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8862 10.5430 -5.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8208 11.9047 -7.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 1.9493 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 -2.5100 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 -0.9567 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 2.3821 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8943 2.8130 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 4.1253 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9408 2.3787 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 -0.3556 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 0.9018 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 0.3465 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 5.4266 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 -3.1350 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -2.5061 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9028 -1.0138 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -1.1130 -2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 6.7770 -3.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 8.4152 -5.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8457 7.8718 -4.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 6.2426 -2.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0433 8.5659 -5.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 9.2009 -8.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9861 10.8543 -7.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7182 9.4945 -7.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 10.7545 -8.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9747 10.0371 -5.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6599 11.6957 -4.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 11.4246 -5.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7995 10.1635 -4.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8626 12.3309 -8.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 12.6713 -6.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5305 11.0808 -6.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END > (32) 32 > (32) C29H31N5O2 > (32) 481.58874 > (32) 16970394-29 > (32) 16970394 > (32) 29 > (32) 8 > (32) VEGFR > (32) 2006 > (32) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.0042 1.2934 -0.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 -0.0380 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 -0.7313 -0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 -0.1022 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 1.3170 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 2.0003 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 -0.8086 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -0.1315 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 1.2720 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 1.9974 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 1.9832 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 3.0049 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 3.6686 -0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 3.3039 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2478 2.2887 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 1.6321 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 0.5297 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7555 4.7554 -1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 5.3959 -1.9365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8961 5.0714 -2.7391 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 6.3461 -2.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.7214 -0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 0.0196 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9878 7.4646 -2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 8.4009 -3.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7889 8.2252 -4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 7.1113 -5.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 6.1695 -4.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0940 9.6153 -3.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1418 9.4043 -6.0994 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.4587 9.5718 -1.9024 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2457 9.6300 -4.0463 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3448 10.7714 -3.4959 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 3.0798 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -1.8886 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.6814 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 3.0771 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 3.2827 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4366 3.8165 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0134 2.0095 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 -0.4238 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 0.7239 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.4916 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 5.1980 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.6914 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 -0.6831 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 0.6378 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 0.6553 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3612 7.6024 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6568 6.9765 -6.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1618 5.2982 -4.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 M END > (33) 33 > (33) C24H18ClF3N4O > (33) 470.8741296 > (33) 16970394-30 > (33) 16970394 > (33) 30 > (33) 3 > (33) VEGFR > (33) 2006 > (33) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0031 1.3784 0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 0.0471 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 -0.6442 0.1469 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -0.0131 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 1.4061 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 2.0872 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 -0.7174 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 -0.0383 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 1.3652 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 2.0885 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 2.0787 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 3.0796 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 3.7456 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4832 3.4039 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 2.4092 0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0323 1.7506 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7799 0.6708 2.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7516 4.8104 -1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 5.4531 -1.8843 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 5.1064 -2.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2231 6.3745 -2.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1798 -0.6384 0.1668 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 0.1004 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0009 7.4914 -2.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 8.3993 -3.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7914 8.1967 -4.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0159 7.0843 -5.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7352 6.1708 -4.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 9.6118 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1474 9.3400 -6.1578 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5363 7.7129 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1079 9.2775 -2.3856 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7396 10.0547 -4.5021 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3156 10.6290 -2.8104 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 3.1666 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 -1.7973 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6474 -0.5864 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 3.1682 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 3.3396 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4328 3.9183 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 2.1478 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 -0.2916 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3468 0.8869 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 0.6360 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5899 5.2768 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 -1.6083 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 -0.6038 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 0.7389 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 0.7156 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6334 6.9286 -6.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 5.3007 -4.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4770 7.1749 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7046 8.7780 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 7.3461 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > (34) 34 > (34) C25H20ClF3N4O > (34) 484.9007096 > (34) 16970394-31 > (34) 16970394 > (34) 31 > (34) 21 > (34) VEGFR > (34) 2006 > (34) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 70 74 0 0 0 0 0 0 0 0999 V2000 -0.0570 1.3149 -0.1464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -0.0165 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.7093 -0.1352 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 -0.0796 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 1.3398 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 2.0225 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -0.7854 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 -0.1076 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 1.2960 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 2.0208 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 2.0079 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 3.0215 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 3.6863 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 3.3308 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 2.3233 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 1.6658 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 0.5716 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7382 4.7644 -1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9233 5.4060 -1.9295 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 5.0724 -2.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2312 6.3415 -2.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -0.7006 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 0.0397 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7680 6.1575 -4.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 7.0824 -5.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8397 8.1915 -4.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3056 8.3815 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9990 7.4629 -2.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5696 6.8807 -6.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4508 7.6518 -1.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3178 8.7661 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2451 9.1876 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2205 10.3414 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5834 9.9115 0.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6890 9.5468 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7574 8.3693 -1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5644 10.9468 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3194 7.4927 -6.7462 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 7.4507 -7.5112 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 5.5114 -6.8671 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 3.1019 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -1.8653 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 -0.6570 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 3.1005 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 3.2921 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3809 3.8445 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9264 2.0513 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 -0.3852 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 0.7742 2.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 0.5343 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 5.2197 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.6706 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -0.6635 -0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 0.6660 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 0.6674 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1692 5.2917 -4.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0758 8.9114 -5.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9045 9.2490 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0098 9.5982 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2316 9.5119 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5146 8.3432 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9422 11.1903 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1816 10.6345 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4038 10.3994 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7166 9.2628 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 7.5120 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8243 8.1090 -2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5156 11.1447 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5652 10.6026 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3403 11.8613 0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > (35) 35 > (35) C30H30F3N5O2 > (35) 549.5867096 > (35) 16970394-32 > (35) 16970394 > (35) 32 > (35) 17 > (35) VEGFR > (35) 2006 > (35) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 66 70 0 0 0 0 0 0 0 0999 V2000 0.0209 1.2113 -0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -0.1198 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -0.8032 -0.0969 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 -0.1638 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 1.2555 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1253 1.9280 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 -0.8596 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 -0.1722 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7649 1.2315 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 1.9465 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 1.9540 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2896 2.9800 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5095 3.6547 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 3.2967 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 2.2769 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0491 1.6095 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 0.5018 1.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 4.7460 -1.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 5.3972 -1.9332 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 5.0562 -2.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 6.3489 -2.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -0.8137 -0.0884 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -0.0838 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 6.1766 -4.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0317 7.1170 -5.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7898 8.2310 -4.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2698 8.4114 -3.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 7.4761 -2.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5124 6.9269 -6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4663 7.6593 -1.3062 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 8.9063 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3761 9.0017 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9045 8.9695 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 7.6837 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9341 7.6265 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2538 7.5267 -6.7025 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3965 7.5178 -7.4951 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4046 5.5596 -6.8620 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 3.0071 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 -1.9395 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -0.7138 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 3.0263 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 3.2525 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4386 3.8181 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0218 2.0030 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 -0.4475 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 0.6986 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7351 0.4531 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 5.2068 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -1.7836 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 -0.7938 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 0.5321 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 0.5532 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 5.3075 -4.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 8.9624 -5.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8621 9.2827 -3.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3541 9.7564 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 8.9146 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0070 9.9348 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 8.1593 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3173 9.8332 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 8.9935 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5078 7.6751 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0363 6.8205 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2861 6.7053 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3275 8.4826 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > (36) 36 > (36) C29H28F3N5O > (36) 519.5607296 > (36) 16970394-33 > (36) 16970394 > (36) 33 > (36) 1415 > (36) VEGFR > (36) 2006 > (36) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 68 0 0 0 0 0 0 0 0999 V2000 -0.0181 1.3059 -0.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -0.0254 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -0.7153 -0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -0.0827 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 1.3366 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 2.0162 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 -0.7854 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 -0.1047 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 1.2988 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 2.0206 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 2.0140 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2676 3.0173 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4913 3.6852 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4655 3.3431 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2178 2.3460 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 1.6852 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7411 0.6024 1.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 4.7526 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9406 5.3972 -1.9357 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 5.0489 -2.7601 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2251 6.3485 -2.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -0.7125 -0.0286 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 0.0247 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 7.0175 -3.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 7.9563 -4.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7868 8.2311 -4.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8228 7.5687 -4.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5484 6.6303 -3.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 8.6820 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5969 5.9626 -2.6158 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2660 6.4150 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3239 5.3265 -1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1384 4.3764 -2.2274 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1452 4.8078 -3.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 4.2076 -4.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9128 3.1497 -2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 9.8500 -4.5237 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 9.0134 -6.5316 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 7.8563 -5.2785 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 3.0955 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 -1.8653 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 -0.6517 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 3.1004 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 3.2777 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4143 3.8590 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9742 2.0843 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0617 -0.3585 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2959 0.8171 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 0.5654 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5955 5.2020 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -1.6824 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 0.6416 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -0.6805 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 0.6614 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1665 6.8047 -3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 8.9652 -5.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 7.7856 -4.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7435 7.3820 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5557 6.4683 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3266 5.7530 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 4.8394 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4237 2.3216 -1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9732 2.9317 -3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9175 3.2831 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 2 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > (37) 37 > (37) C28H25F3N6O2 > (37) 534.5323096 > (37) 16970394-34 > (37) 16970394 > (37) 34 > (37) 461 > (37) VEGFR > (37) 2006 > (37) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 76 80 0 0 0 0 0 0 0 0999 V2000 0.3750 4.0225 3.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 2.7697 3.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 1.7757 2.5751 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.0011 2.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 3.3245 2.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 4.3427 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 0.9668 1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 1.2379 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 2.5434 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 3.5847 1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 2.8086 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 3.8410 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 4.0845 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4599 3.2912 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 2.2682 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9286 2.0266 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 0.9118 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 5.1795 -1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9294 5.4133 -1.9418 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 5.8689 -1.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1647 6.3708 -2.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 2.4997 3.4785 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 3.5818 4.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 6.5666 -3.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4699 7.5129 -4.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6291 8.2661 -4.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5609 8.0773 -3.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3314 7.1348 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9784 6.1641 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4608 6.2774 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7788 7.6470 -0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0069 8.2260 -1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5199 8.1325 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 6.9462 -1.8873 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 7.0752 -2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9548 7.4335 -3.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4951 6.8072 -1.1906 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9252 6.9475 -1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7322 6.5854 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1662 6.7260 -0.5137 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 7.7238 -6.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 8.7005 -5.6292 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 8.1435 -7.1873 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 6.5233 -6.2756 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 5.3630 2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -0.0431 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 0.4373 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 4.5879 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 4.4513 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4673 3.4778 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0297 1.6568 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.0100 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 0.7727 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8115 1.1665 2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6711 4.9182 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 1.5939 3.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 4.0322 4.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 4.3381 3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 3.1803 4.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 5.9795 -3.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8074 9.0038 -5.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4656 8.6669 -3.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 5.1155 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7868 6.7171 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0687 5.9143 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6631 5.6806 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2865 9.2723 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1960 7.6859 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3210 8.7170 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9250 8.5207 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9754 6.7228 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2017 6.5215 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1999 6.2799 -2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1395 7.9775 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4575 7.2530 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5180 5.5554 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 34 1 0 0 0 0 29 40 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 40 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M END > (38) 38 > (38) C31H32F3N7O3 > (38) 607.6260896 > (38) 16970394-35 > (38) 16970394 > (38) 35 > (38) 47 > (38) VEGFR > (38) 2006 > (38) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 65 69 0 0 0 0 0 0 0 0999 V2000 0.0198 1.2149 -0.0662 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 -0.1162 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -0.8001 -0.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -0.1612 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 1.2581 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 1.9311 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -0.8574 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 -0.1705 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 1.2332 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 1.9486 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 1.9552 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2885 2.9810 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 3.6549 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 3.2962 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 2.2766 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 1.6102 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 0.5033 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 4.7462 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 5.3965 -1.9355 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 5.0569 -2.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2253 6.3476 -2.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -0.8097 -0.0854 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -0.0793 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7468 6.1755 -4.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 7.1160 -5.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 8.2296 -4.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2696 8.4092 -3.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9861 7.4744 -2.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5077 6.9268 -6.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4677 7.6574 -1.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9531 8.3092 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 7.9234 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5891 7.3000 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5706 6.6823 -1.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0929 9.1090 1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9896 6.9149 1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 7.5273 -6.7017 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 7.5177 -7.4969 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 5.5597 -6.8635 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 3.0102 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5816 -1.9373 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -0.7125 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 3.0285 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 3.2541 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4391 3.8170 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0226 2.0021 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1209 -0.4465 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3606 0.7001 2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 0.4558 2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 5.2055 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -1.7796 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 -0.7890 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 0.5366 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4762 0.5577 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 5.3065 -4.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0058 8.9613 -5.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 9.2799 -3.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 9.3868 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 7.8332 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5208 9.7760 1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9678 8.7450 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4135 9.6506 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 5.9953 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9383 6.6977 2.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2924 7.3333 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 34 2 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > (40) 40 > (40) C29H26F3N5O2 > (40) 533.5442496 > (40) 16970394-37 > (40) 16970394 > (40) 37 > (40) 360 > (40) VEGFR > (40) 2006 > (40) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.0319 1.3572 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.0257 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -0.6744 -0.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 -0.0525 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 1.3667 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 2.0575 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 -0.7662 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -0.0963 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 1.3072 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 2.0397 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 2.0105 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 3.0254 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 3.6790 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 3.3198 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2214 2.3121 0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0045 1.6607 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 0.5673 1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 -0.6505 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 0.0981 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 4.6989 -1.8857 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 4.6240 -3.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 3.6267 -3.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 5.7545 -4.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 6.9009 -3.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 7.9524 -4.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6788 7.8722 -5.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 6.7386 -6.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 5.6778 -5.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 6.6604 -7.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6976 7.8435 -8.3029 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 5.5764 -8.2925 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 6.4887 -7.5309 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 3.1372 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -1.8462 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 -0.6517 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 3.1193 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4975 3.3027 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4150 3.8292 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9858 2.0366 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 -0.3910 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3118 0.7659 2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6803 0.5361 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 -1.6204 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 0.7277 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3212 -0.5996 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 0.7232 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 5.4601 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4815 6.9650 -2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7469 8.8401 -4.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 8.6982 -6.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 4.7919 -5.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M END > (48) 48 > (48) C24H19F3N4O > (48) 436.4290696 > (48) 16970394-13 > (48) 16970394 > (48) 13 > (48) 5 > (48) VEGFR > (48) 2006 > (48) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.5610 2.4135 -0.0645 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 1.0906 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 0.2695 0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.7526 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 2.1581 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 2.9823 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -0.0924 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 0.4387 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 1.8273 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 2.6869 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 2.3775 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9052 3.3079 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1945 3.8187 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0995 3.4017 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 2.4781 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 1.9688 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 0.9667 2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 0.5561 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 1.4414 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5838 4.7537 -1.8438 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0678 4.6927 -3.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3394 3.7703 -3.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 5.6541 -3.9858 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9129 5.5358 -5.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 6.6711 -6.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 6.5510 -7.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0309 5.3020 -7.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 4.1693 -7.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8128 4.2830 -5.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 7.7826 -8.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8975 8.2609 -8.7939 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 7.4622 -9.0520 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 8.7680 -7.2505 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 4.0566 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -1.1629 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.2172 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2168 3.7547 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2003 3.6305 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 3.8000 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 2.1570 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 -0.0410 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 1.1484 3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 1.0679 2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -0.4050 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 2.1141 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 2.0250 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 0.8437 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2251 5.4456 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8784 6.4281 -3.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 7.6469 -5.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6864 5.2107 -8.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 3.1950 -7.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 3.3985 -5.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (49) 49 > (49) C24H20F3N5O > (49) 451.4437096 > (49) 16970394-14 > (49) 16970394 > (49) 14 > (49) 52 > (49) VEGFR > (49) 2006 > (49) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.0821 0.9454 -0.3429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 -0.3834 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 -1.0211 -0.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -0.3350 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 1.0834 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 1.7057 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -0.9814 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8595 -0.2475 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 1.1557 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 1.8227 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 1.9297 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 2.9518 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 3.6719 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 3.3719 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 2.3567 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0423 1.6392 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.5375 1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -1.1248 -0.3802 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -0.4464 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7305 4.6990 -1.8871 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5008 5.7858 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8821 6.7917 -2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6395 7.6828 -1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6877 7.1630 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9703 6.0090 -0.3237 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2878 8.8724 -1.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 9.5420 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0298 9.0330 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3912 7.8537 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 10.8347 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 11.9067 -1.0464 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8003 10.9769 -0.4253 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0931 10.8208 -2.5920 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 2.7824 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -2.0602 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8139 -0.7513 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 2.9023 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5692 3.1830 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 3.9333 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9650 2.1271 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.4041 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 0.7712 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 0.4484 2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -2.0939 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 0.1798 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3437 0.1747 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 -1.1890 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 4.6478 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 6.8679 -3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2524 9.2736 -2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 9.5660 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 7.4635 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (50) 50 > (50) C24H19F3N6 > (50) 448.4430696 > (50) 16970394-15 > (50) 16970394 > (50) 15 > (50) 1438 > (50) VEGFR > (50) 2006 > (50) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3274 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.7006 -0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.0749 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 1.3443 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 2.0312 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -0.7849 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6971 -0.1112 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 1.2923 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 2.0212 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 1.9998 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 3.0193 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 3.6745 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 3.3203 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 2.3087 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 1.6509 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 0.5532 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 -0.6841 0.0103 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 3.1108 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -1.8648 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -0.6637 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5791 3.1008 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 3.2962 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6684 4.4649 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4144 3.8351 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0051 2.0360 1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -0.4023 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 0.7518 2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 0.5161 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -0.1911 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 -1.6540 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > (51) 51 > (51) C15H13N3 > (51) 235.28382 > (51) 16970394-45 > (51) 16970394 > (51) 45 > (51) 4966 > (51) VEGFR > (51) 2006 > (51) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8506 -1.9621 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -2.3692 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -2.5267 -1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -1.4374 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 -3.0221 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 -1.5496 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.2466 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 -3.4291 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.8444 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -2.1141 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -3.5867 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -2.4041 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END > (384) 384 > (384) C22H22N4O > (384) 358.43628 > (384) 11012021-4 > (384) 11012021 > (384) 4 > (384) 2290 > (384) VEGFR > (384) 2000 > (384) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -2.2028 -1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -2.0453 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -2.3741 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 -1.6188 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 -3.2628 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -2.0210 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -3.1053 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -1.4613 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -1.7513 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > (385) 385 > (385) C21H20N4O > (385) 344.4097 > (385) 11012021-5 > (385) 11012021 > (385) 5 > (385) 430 > (385) VEGFR > (385) 2000 > (385) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 -2.2121 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -3.2328 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -2.6301 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 -2.0558 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -0.8353 1.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -2.3829 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -2.6831 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -1.3515 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -4.2145 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -3.2901 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -3.4061 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.8369 1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 -2.7782 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.9369 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (387) 387 > (387) C23H22N4O2 > (387) 386.44638 > (387) 11012021-7 > (387) 11012021 > (387) 7 > (387) 1000 > (387) VEGFR > (387) 2000 > (387) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -2.2321 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 -3.4805 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -3.3721 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7662 -2.0617 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 -4.4869 1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -2.3911 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -2.4874 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 -1.4472 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -4.3833 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3568 -3.4971 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -3.3363 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -1.2493 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -2.1927 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 -5.3429 1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (388) 388 > (388) C23H22N4O2 > (388) 386.44638 > (388) 11012021-8 > (388) 11012021 > (388) 8 > (388) 85 > (388) VEGFR > (388) 2000 > (388) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -2.2193 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -2.7258 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -3.1407 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -2.0507 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 -4.4339 0.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5233 -3.8517 -0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -2.3812 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -3.0193 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.3676 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.9281 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 -3.1175 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -1.1440 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.4169 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -5.1410 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 -4.2111 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > (389) 389 > (389) C23H22N4O3 > (389) 402.44578 > (389) 11012021-9 > (389) 11012021 > (389) 9 > (389) 270 > (389) VEGFR > (389) 2000 > (389) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 0.2596 1.0566 -0.4247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 -0.1944 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 -0.7490 0.6324 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -0.0566 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.2793 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.8273 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -0.3476 1.4993 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 0.7447 1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 1.7745 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 3.1375 -0.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2951 3.1325 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 3.9696 1.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 5.2324 1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 5.6703 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0494 4.8394 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 3.5733 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 6.9155 -0.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 7.0654 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9951 5.9525 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3677 6.1077 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9209 7.3706 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 8.4813 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 8.3312 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -1.6424 2.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -2.2294 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 -2.3839 2.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -2.4712 3.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -1.4606 3.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 0.8088 2.2220 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6484 -0.7864 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5775 3.5047 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 3.6889 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 3.6296 2.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 5.8814 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 5.1831 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 2.9257 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5635 4.9659 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0092 5.2418 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9943 7.4898 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5371 9.4667 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0903 9.1987 -0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -2.3298 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8927 -3.2021 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 -1.5509 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 -3.2968 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 -1.5152 2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -3.4770 3.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -2.1679 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 -0.4428 3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -1.6998 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (392) 392 > (392) C23H21BrN4O > (392) 449.34304 > (392) 11012022-3 > (392) 11012022 > (392) 3 > (392) 1600 > (392) VEGFR > (392) 2000 > (392) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2612 1.0568 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 -0.1945 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.7512 0.6282 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 -0.0611 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 1.2778 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 1.8278 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -0.3666 1.5018 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 0.7292 1.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 1.7799 0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 3.1365 -0.6656 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 3.1372 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 3.9763 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 5.2403 1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 5.6800 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 4.8481 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5315 3.5805 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7929 6.9265 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1427 7.0821 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 5.9726 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 6.1335 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 7.3987 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0678 8.5061 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6952 8.3502 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 -1.6679 2.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 -2.2621 1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 -2.4327 2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -2.5204 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -1.4981 3.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 0.7720 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 0.8060 2.5048 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 -0.7860 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 3.5040 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 3.6880 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 3.6354 2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 5.8899 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 5.1935 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 2.9328 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 4.9841 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9881 5.2703 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9638 7.5224 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4983 9.4933 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0527 9.2150 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0152 -2.3471 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 -3.2301 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4686 -1.5823 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 -3.3499 2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 -1.5701 2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.5235 3.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 -2.2276 4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 -0.4846 3.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 -1.7332 4.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 3 0 0 0 0 M END > (393) 393 > (393) C24H21N5O > (393) 395.45644 > (393) 11012022-5 > (393) 11012022 > (393) 5 > (393) 3200 > (393) VEGFR > (393) 2000 > (393) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 1.1554 0.7211 -2.3191 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -0.5889 -2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -1.1589 -1.6156 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -0.4222 -1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 0.9773 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 1.5394 -1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 -0.7138 -0.4559 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 0.4388 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 1.5095 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 2.9112 -1.9665 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 2.9376 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0098 3.7852 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 5.1131 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 5.6060 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 4.7647 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 3.4344 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0204 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 7.7971 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 7.3730 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 8.2720 -2.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 9.5934 -2.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 10.0185 -1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 9.1250 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9302 -2.0659 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 -2.7851 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 -4.0291 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -4.3182 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -2.8980 -1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 0.5071 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 0.4812 -0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.2180 -2.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 3.2875 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 3.4967 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 3.4024 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 5.7702 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1309 5.1512 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 2.7793 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 6.3408 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 7.9424 -3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 10.2946 -3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 11.0511 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 9.4585 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 -2.0188 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -3.0877 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -2.1281 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -4.8720 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -3.8127 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 -4.8507 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -4.8796 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 -2.4989 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.9155 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 1.4301 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -0.3469 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3949 0.5221 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > (394) 394 > (394) C24H24N4O2 > (394) 400.47296 > (394) 11012022-6 > (394) 11012022 > (394) 6 > (394) 1080 > (394) VEGFR > (394) 2000 > (394) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.2686 1.6755 -2.6916 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3587 -2.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -0.3989 -2.0891 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 0.1429 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 1.5418 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 2.3078 -2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -0.3656 -0.8942 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 0.6475 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 3.6873 -2.2115 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 3.1804 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7912 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 5.6859 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 5.3279 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 4.0791 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 6.9149 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 7.9350 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6840 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 8.7205 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 10.0123 0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 10.2634 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 9.2262 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 11.0327 1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -1.7902 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 -1.9622 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.3695 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.5267 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -0.1155 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 0.5171 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.2059 -2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 4.1360 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.8477 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0729 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 6.0264 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 3.7993 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 6.6783 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 8.5252 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 11.2693 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 9.4210 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 11.1896 2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 -1.4375 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 -3.0222 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -1.5495 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 -2.2469 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 -3.4294 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.8448 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 -2.1140 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -3.5867 -1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 -2.4042 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (400) 400 > (400) C22H22N4O2 > (400) 374.43568 > (400) 11012022-16 > (400) 11012022 > (400) 16 > (400) 2000 > (400) VEGFR > (400) 2000 > (400) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.5023 0.8369 -0.4457 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -0.4160 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -0.9324 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -0.1968 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 1.1430 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 1.6492 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -0.4421 1.4665 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 0.6831 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 1.6891 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 2.9611 -0.6815 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 3.0697 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 3.8019 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 5.0857 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3716 5.6493 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.9230 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 3.6365 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 6.9147 -0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 7.0809 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 5.9731 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2706 6.1411 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 7.4194 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 8.5278 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 8.3582 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 7.5904 -1.3282 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 -1.7250 2.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 -1.6067 2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -2.1011 3.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -2.8069 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 -1.0423 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 0.7580 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 3.2990 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 3.5429 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 3.3643 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 5.6533 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 5.3643 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 3.0704 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5268 4.9791 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 5.2787 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4056 9.5222 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 9.2202 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 6.8160 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5205 8.4833 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -0.8359 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -2.5612 3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3442 -1.3388 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -2.1853 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -3.0556 3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 -1.3303 3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -2.5390 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 -3.7614 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 -2.8912 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END > (401) 401 > (401) C22H23N5O > (401) 373.45092 > (401) 11012022-17 > (401) 11012022 > (401) 17 > (401) 900 > (401) VEGFR > (401) 2000 > (401) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2690 1.6770 -2.6936 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 0.3602 -2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -0.3976 -2.0916 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 0.1438 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 1.5427 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 2.3090 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -0.3650 -0.8959 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 0.6479 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 1.8400 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 3.6886 -2.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1807 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 3.5429 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 4.7908 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6860 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 5.3286 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2992 4.0799 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9148 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 7.9350 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 9.2328 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 10.2691 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 10.0127 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 8.7235 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 7.6860 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5227 -1.7897 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 -2.2190 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 -2.7259 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -3.1408 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 -2.0506 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 9.4832 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -0.1138 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.5172 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 4.2074 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 4.1371 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 2.8471 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 5.0720 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 6.0274 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 3.8006 -2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 11.2770 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 10.8213 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 8.5274 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 6.6806 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.3806 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 -3.0189 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.3674 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3431 -3.5847 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -1.9283 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -4.1272 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -3.1179 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -1.1441 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -2.4167 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 9.6911 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (404) 404 > (404) C23H22N4O2 > (404) 386.44638 > (404) 11012022-21 > (404) 11012022 > (404) 21 > (404) 90 > (404) VEGFR > (404) 2000 > (404) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 0.2683 1.6797 -2.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 0.3630 -2.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -0.3954 -2.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.1455 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 1.5443 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3111 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 -0.3640 -0.8966 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 0.6484 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 1.8409 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 3.6907 -2.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 3.1814 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5422 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7899 0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 5.6862 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 5.3301 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2985 4.0817 -1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 6.9149 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 7.9341 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 9.2275 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 10.2620 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0093 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 8.7210 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 7.6841 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 -1.7889 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 -2.2012 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -2.0459 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9101 9.4986 0.1881 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3392 10.6343 0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6628 8.5861 -0.1021 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6885 -0.1105 -3.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 0.5172 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 4.2098 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 4.1387 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8455 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 5.0701 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 6.0297 -2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 3.8035 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.2690 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8194 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 8.5261 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6789 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 -2.3724 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -3.2614 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -2.0182 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 -1.6178 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 -1.7521 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -3.1060 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.4624 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 2 27 1 29 -1 M END > (405) 405 > (405) C21H19N5O3 > (405) 389.40726 > (405) 11012022-22 > (405) 11012022 > (405) 22 > (405) 900 > (405) VEGFR > (405) 2000 > (405) 0 $$$$ Wcorina 06010716243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.2684 1.6773 -2.6946 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 0.3606 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.3974 -2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 0.1440 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 1.5429 -1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 2.3093 -2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 -0.3649 -0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 0.6478 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5866 1.8401 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 3.6888 -2.2133 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 3.1808 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 3.5428 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1666 4.7907 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8432 5.3285 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 4.0800 -1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 6.9149 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 7.9328 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 9.2407 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 10.2804 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 10.0149 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 8.7211 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 7.6850 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 -1.7897 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -2.2021 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -2.0458 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 9.5094 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 9.7225 0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -0.1134 -3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.5171 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.2076 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 4.1373 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 2.8470 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 5.0718 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9335 6.0271 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.8009 -2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 11.2905 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 10.8193 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 8.5221 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 6.6797 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 -2.3735 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 -1.6183 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -3.2621 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 -2.0196 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -1.7520 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -3.1059 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.4620 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 3 0 0 0 0 M END > (406) 406 > (406) C22H19N5O > (406) 369.41916 > (406) 11012022-23 > (406) 11012022 > (406) 23 > (406) 161 > (406) VEGFR > (406) 2000 > (406) 0 $$$$ Structure196 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 59 62 0 0 0 0 0 0 0 0999 V2000 -3.6203 0.4982 0.6320 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1413 -1.0578 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 -1.7133 -0.3649 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3182 -1.1037 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 0.1631 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4162 1.0761 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5218 0.7274 -0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2387 2.3036 0.8005 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -1.5508 0.1864 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -4.9475 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -3.6954 -0.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -2.8691 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -3.3456 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -4.6744 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1305 -5.4364 -0.8504 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5136 -5.8482 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -5.1971 -0.6047 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -6.6112 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -7.1275 -1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -6.9576 0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -5.5435 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -5.0272 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 -7.5114 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 -7.2302 1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 -7.8937 2.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3369 3.1499 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5209 2.6482 1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6015 3.4884 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5056 4.8266 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3294 5.3281 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 4.4938 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9635 5.0419 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6418 0.9684 1.9373 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.2228 -1.5603 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 2.6003 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 -0.9762 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -2.7010 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -5.7887 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -6.8758 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -5.5317 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 -7.1928 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -6.7095 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 -8.1840 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -6.5639 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 -5.4451 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 -4.9619 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -3.9707 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3655 -5.5908 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -8.5879 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 -7.0462 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 -7.5975 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 -6.1565 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -7.7592 3.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5220 3.0997 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3516 5.4813 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2583 6.3734 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3222 5.3890 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4512 4.2587 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1903 5.8744 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 26 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > (1,132) Sprycel (dasatinib, 6) > (1,132) 17692027 > (1,132) NA > (1,132) 2007-Review > (1,132) 1 > (1,132) 1130 > (1,132) VEGFR2-P1130 $$$$ Structure179 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 44 47 0 0 0 0 0 0 0 0999 V2000 1.3713 4.2125 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 4.4842 2.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 5.3903 3.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0448 6.0379 2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 5.8211 1.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 3.2809 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 4.9285 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 4.4361 -1.1900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 3.2823 -1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 3.8132 3.0994 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 2.4055 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 1.5184 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 0.7053 1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 0.7692 1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 1.6522 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 2.4635 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3192 -0.0571 1.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2132 -1.2854 1.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 -0.5740 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.3986 -0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 -1.7404 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 -1.7336 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3432 -2.1831 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8582 -2.6393 -1.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 -2.6473 -2.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6175 -2.2047 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8272 -2.1762 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 6.7694 3.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 2.6570 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 3.3763 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 3.7795 4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 1.4686 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 0.0183 2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 1.7001 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 3.1464 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4807 -0.2576 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 -1.4821 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8485 -1.3768 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5439 -2.9897 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1219 -3.0041 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 -2.2154 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 -3.1257 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3616 -2.0357 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0716 -1.3621 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END > (1,342) 16735117-I.sdf > (1,342) 3 > (1,342) 1 > (1,342) 1340 > (1,342) VEGFR2-P1340 $$$$ Structure268 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 50 54 0 0 0 0 0 0 0 0999 V2000 0.6180 -1.9452 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -2.1539 2.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6105 -1.8350 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 -1.3072 1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -1.1005 2.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -1.4191 3.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 -2.0388 -0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -2.5682 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 -3.9452 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 -4.4856 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -3.6473 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -2.2647 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -1.7305 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4033 -4.2248 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -3.8377 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 -4.6560 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1682 -5.4733 0.5915 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 -5.2099 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7294 -2.9007 -1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9303 -2.8261 -2.3855 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 -3.6139 -1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7772 -4.5069 -1.0407 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9841 -6.4823 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 -6.1716 2.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 -7.3822 3.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5997 -8.5517 2.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3247 -7.8708 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -2.0740 -2.2287 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 -2.1974 4.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -2.5645 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -1.0578 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 -0.6897 2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -1.2568 4.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -4.5940 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 -5.5569 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -1.6128 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 -0.6597 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 -5.7144 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8760 -3.5212 -2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9862 -6.5022 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0992 -6.0417 3.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 -5.2702 3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -7.5922 4.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3911 -7.2022 3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6112 -8.9567 2.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 -9.3311 2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 -7.7697 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 -8.4374 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 -2.1388 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8473 -1.4295 -2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (150) 78 > (150) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 975 > (150) 1570 > (150) 2002 > (150) 1 > (150) KDR > (150) 148 > (150) VEGFR2-P148 $$$$ Structure269 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 73 76 0 0 0 0 0 0 0 0999 V2000 -1.4394 0.1325 3.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -1.2219 2.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -1.8410 2.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -1.0942 3.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 0.2599 3.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 0.8727 3.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 0.7381 3.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 2.1370 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 0.9887 3.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 2.3794 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -3.2896 2.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -3.7734 1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 -5.1600 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -6.0276 2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 -5.5337 3.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -4.2159 3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 -6.4480 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 -6.5736 4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -3.7939 4.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -5.7055 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -7.0074 -0.2004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -7.7938 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 -7.3254 1.9741 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -9.1498 0.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 -9.6876 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -10.7743 -1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -11.3041 -2.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 -10.7508 -3.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -9.6652 -2.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 -9.1381 -1.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -11.2725 -4.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 -10.6532 -4.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 -11.3718 -6.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -12.7498 -5.8916 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -12.7700 -5.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -14.1626 -4.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5698 -13.5409 -7.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 -13.8967 -7.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2286 -1.7975 2.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -1.5707 3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 1.9285 3.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 2.3104 4.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 2.6737 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7148 2.4941 3.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 2.4972 4.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 2.8419 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 2.8600 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6658 -3.1055 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -6.0584 5.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -7.4286 4.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -6.9632 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -5.5930 4.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -7.2539 5.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -5.0734 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 -9.7295 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2156 -11.2048 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -12.1492 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -9.2350 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -8.2932 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -10.7153 -4.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -9.6068 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -10.8461 -6.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 -11.3870 -6.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -12.0342 -4.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -12.5288 -5.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8612 -14.1531 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0936 -14.8850 -5.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 -14.4417 -3.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1283 -14.4560 -6.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -12.9595 -7.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2355 -14.5740 -8.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -12.9878 -7.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -14.3816 -6.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 M END > (151) 83 > (151) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 975 > (151) 4 > (151) 2002 > (151) 1 > (151) KDR > (151) 149 > (151) VEGFR2-P149 $$$$ 1 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 70 74 0 0 0 0 0 0 0 0999 V2000 -0.2254 2.4064 1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 1.6060 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8767 1.8400 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 2.6405 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 1.3018 0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 2.9447 -0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 0.9961 0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 3.2358 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 4.2526 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 2.5042 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 2.7916 -1.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3513 3.8118 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7024 4.5398 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 4.1029 -1.6584 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 5.4176 -1.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 7.6621 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8525 6.9187 -1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9471 7.9674 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 6.3927 -1.5181 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4044 5.6687 -1.8724 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 7.1789 -2.0996 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 7.4522 -3.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6671 6.4634 -4.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1423 6.7359 -5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6370 7.9920 -5.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6577 8.9789 -4.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 8.7142 -3.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0526 7.1679 -1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 7.0245 0.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3758 7.3158 -1.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1743 7.2954 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5109 6.0766 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6992 6.0947 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 8.4759 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2825 8.4526 1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8006 7.2540 2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3839 4.8110 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9069 9.7828 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 2.1521 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 3.3122 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 2.5026 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 0.7681 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 0.9342 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 2.0943 -2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 3.4783 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 1.7438 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 1.8773 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 0.1752 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 0.7092 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 4.8189 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 1.7103 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 2.2227 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2239 5.3308 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 3.3837 -1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 8.4499 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 8.9942 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2811 5.4820 -4.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1277 5.9671 -6.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 8.2026 -6.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 9.9589 -5.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 9.4868 -2.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9195 5.1420 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5133 9.3714 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4353 7.2378 2.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1331 4.6358 -1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3918 3.9829 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 4.8860 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9450 9.9682 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5958 10.5914 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7724 9.7341 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 6 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 50 1 0 0 0 0 10 11 2 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 55 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 56 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 32 62 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > (338) 2-aminopyrimidine carbamate, 1 > (338) 190 > (338) 1 > (338) VEGFR-2 (KDR) > (338) 336 > (338) VEGFR2-P336 $$$$ 25 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 74 78 0 0 0 0 0 0 0 0999 V2000 0.6652 0.8032 1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 -0.1797 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 0.2989 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 1.2817 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3937 -0.4214 0.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2312 1.5235 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 -0.9549 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 2.0317 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 3.1898 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 1.3750 -1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5644 1.8765 -1.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0112 3.0374 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 3.6912 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 3.5459 -1.5354 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4724 4.9133 -1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5670 7.0330 -1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 6.6892 -1.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8296 7.5634 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 5.7198 -1.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6993 5.3828 -1.8139 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2049 7.1788 -2.1004 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6809 7.4425 -3.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5010 8.6961 -3.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 8.9536 -5.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6199 7.9639 -5.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8029 6.7114 -5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3405 6.4472 -4.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 7.3998 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 7.2607 0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2782 7.7748 -1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0220 7.9813 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4937 7.1466 1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7382 6.9341 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 9.2409 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8279 9.4483 1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5366 8.4017 2.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6915 5.5657 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2991 10.3822 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5247 5.2179 -3.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 4.2470 -4.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 0.5955 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.5774 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 0.5833 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 -1.1039 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -0.4753 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 0.5065 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 2.2059 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 0.5187 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -0.2117 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -1.8609 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -1.1880 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.6983 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9653 0.4718 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 1.3658 -2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 4.5920 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 2.9402 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7062 7.6822 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 8.6305 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9937 9.4710 -3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 9.9304 -5.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9847 8.1693 -6.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3101 5.9402 -5.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 6.3316 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8665 10.4289 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1281 8.5660 3.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 5.4770 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8216 4.8064 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7285 5.4241 -0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 10.4205 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8186 11.3196 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2194 10.2320 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2887 3.3131 -3.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6539 4.0746 -5.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2076 4.6128 -4.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 6 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 52 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 54 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 57 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 58 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 27 39 1 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 32 63 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > (339) 2-aminopyrimidine carbamate, 25 > (339) 190 > (339) 1 > (339) VEGFR-2 (KDR) > (339) 337 > (339) VEGFR2-P337 $$$$ 26 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 74 78 0 0 0 0 0 0 0 0999 V2000 -0.2268 2.4057 1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 1.6061 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 1.8406 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 2.6402 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 1.3013 0.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3885 2.9450 -0.3694 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 0.9952 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 3.2366 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 4.2532 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 2.5055 -1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 2.7929 -1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 3.8127 -1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 4.5406 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 4.1036 -1.6565 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 5.4182 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 7.6628 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8529 6.9191 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9475 7.9679 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 6.3935 -1.5164 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4045 5.6691 -1.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2056 7.1790 -2.0947 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6885 7.4527 -3.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6691 6.4633 -4.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1446 6.7334 -5.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 7.9929 -5.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6621 8.9818 -4.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1808 8.7149 -3.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0522 7.1677 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6214 7.0240 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3755 7.3157 -1.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1732 7.2950 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5082 6.0757 1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6978 6.0942 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4687 8.4754 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 8.4517 1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7969 7.2528 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3835 4.8108 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9060 9.7825 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1106 8.2581 -7.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6081 9.5761 -7.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3291 2.1510 2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 3.3114 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 2.5027 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.7684 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 0.9349 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 2.0953 -2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 3.4779 1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 1.7436 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 1.8763 0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 0.1744 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.7078 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 4.8194 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 1.7120 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1882 2.2244 -2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 5.3314 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2999 3.3843 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8883 8.4508 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2819 8.9947 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 5.4825 -4.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 5.9638 -6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0499 9.9621 -5.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 9.4863 -2.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9165 5.1411 1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5099 9.3703 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4304 7.2363 2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1336 4.6360 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3907 3.9824 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3988 4.8859 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9435 9.9679 0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5947 10.5909 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7726 9.7340 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8138 10.3017 -7.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4403 9.7786 -6.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9497 9.6532 -8.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 6 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 52 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 54 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 57 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 58 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 32 63 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > (340) 2-aminopyrimidine carbamate, 26 > (340) 420 > (340) 1 > (340) VEGFR-2 (KDR) > (340) 338 > (340) VEGFR2-P338 $$$$ 27 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 80 84 0 0 0 0 0 0 0 0999 V2000 -0.5044 1.9696 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6385 0.1263 2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.9300 2.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 2.7733 1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 1.0491 2.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 1.8505 0.9843 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 0.3122 2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 2.5525 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 3.4762 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 2.3296 1.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 3.0221 1.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 3.9415 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 4.1687 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7474 4.6445 0.6633 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2975 4.9366 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1670 4.7953 -2.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 5.9122 -1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3528 5.4973 -2.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 4.5343 -1.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 5.6160 -0.6312 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1791 6.6254 -1.8591 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 5.9420 -1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 5.6385 -3.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1318 4.9654 -3.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8134 4.5926 -2.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2923 4.8928 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1615 7.9724 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1015 8.5664 -1.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9889 3.9341 -2.2536 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3189 8.6602 -1.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2301 10.0160 -1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0785 12.0511 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1688 10.6731 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 10.7453 -2.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1161 12.1231 -2.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0498 12.7754 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2797 10.0351 -4.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 9.8843 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0897 5.5725 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5793 5.8731 0.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3158 5.4223 1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4337 6.4194 1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3780 5.3147 2.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 2.6506 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 1.3987 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 -0.4654 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 -0.5364 3.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 1.5009 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 0.2490 2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 3.4361 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 3.3651 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -0.2657 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -0.3616 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.0173 2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 3.6526 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.6148 2.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 2.8490 2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6949 4.8867 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 4.9267 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 4.4634 -3.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 5.7228 -3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3981 5.9276 -4.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5411 4.7296 -4.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8254 4.6007 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0304 12.5630 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0976 12.6914 -3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9788 13.8526 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 9.7970 -4.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7674 10.6802 -4.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 9.1146 -4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2330 9.7605 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 10.4170 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7510 8.9047 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 4.4449 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0001 7.3969 2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9955 6.0756 2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1018 6.4961 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5817 4.6044 2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 4.9709 3.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9445 6.2922 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 6 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 6 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 55 1 0 0 0 0 10 11 2 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 57 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 59 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 60 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 61 1 0 0 0 0 21 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 39 2 0 0 0 0 26 64 1 0 0 0 0 27 30 1 0 0 0 0 27 28 2 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 32 65 1 0 0 0 0 33 38 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > (341) 2-aminopyrimidine carbamate, 27 > (341) 4800 > (341) 1 > (341) VEGFR-2 (KDR) > (341) 339 > (341) VEGFR2-P339 $$$$ 28 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 78 82 0 0 0 0 0 0 0 0999 V2000 -1.0290 5.2997 1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 3.0413 2.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 3.3775 2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 5.6359 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 4.2562 2.7202 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 4.4210 1.3539 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 3.9589 2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 4.7042 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 5.6661 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 4.0274 2.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 4.3068 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 5.2648 0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 5.9454 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 5.5486 0.8805 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 5.7964 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 5.8827 -2.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 6.4198 -1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 6.2736 -2.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 5.6546 -1.4452 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4785 6.1746 -0.4497 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3657 6.8162 -1.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3706 5.8602 -1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 5.5363 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7364 4.5952 -3.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3534 3.9731 -2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9793 4.2937 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6907 8.1177 -1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 8.9555 -1.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9849 8.4896 -1.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2432 9.8174 -1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6526 11.7224 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3902 10.3727 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3659 10.6184 -2.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6283 11.9676 -2.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7688 12.5197 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2134 10.0172 -3.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2632 9.5044 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9932 5.2405 -0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6293 5.5607 0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3103 4.8857 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3255 3.0477 -2.5896 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6604 2.7657 -3.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 6.1931 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 4.9399 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 2.6558 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 2.2882 3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 3.7373 3.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 2.4841 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 6.3890 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 6.0214 2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 3.6117 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 3.1836 3.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 4.8610 3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3101 6.1954 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 3.2828 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5773 3.7804 2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7109 6.6934 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 5.5715 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3225 5.7647 -3.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 6.4657 -3.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2688 6.0195 -4.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0286 4.3435 -4.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4600 3.8086 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 12.1552 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7243 12.5915 -3.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9739 13.5747 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1677 10.0653 -4.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 10.5744 -4.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5382 8.9769 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 9.1017 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 10.0995 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 8.6838 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1473 3.8116 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3778 5.0975 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9252 5.2330 2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4475 2.0123 -3.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 2.3924 -4.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0103 3.6772 -4.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 6 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 6 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 54 1 0 0 0 0 10 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 56 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 59 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 60 1 0 0 0 0 21 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 38 2 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 31 64 1 0 0 0 0 32 37 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > (342) 2-aminopyrimidine carbamate, 28 > (342) 640 > (342) 1 > (342) VEGFR-2 (KDR) > (342) 340 > (342) VEGFR2-P340 $$$$ 29 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 81 85 0 0 0 0 0 0 0 0999 V2000 -0.4864 2.5373 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 0.6026 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 1.0210 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 2.9557 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 1.0747 0.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 2.4835 -0.9242 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.6271 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 2.9100 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 4.2630 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 1.9798 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 2.4006 -1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6561 3.7538 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 4.6836 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 4.1806 -0.9329 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3367 5.3686 -1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 7.2322 -2.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9670 6.8925 -2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9953 7.6717 -2.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 6.0903 -2.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 5.7579 -1.5441 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2967 7.2978 -2.1187 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6056 8.5884 -1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7684 8.9262 -1.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6255 9.5035 -1.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0065 10.8014 -1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4762 12.9392 -2.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0893 11.6203 -2.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3076 11.3109 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6941 12.6304 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7809 13.4431 -1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 10.4257 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7578 11.0715 -4.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3621 6.3220 -2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 6.1610 -3.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9912 5.0964 -4.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3302 7.0847 -4.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5189 6.9368 -5.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 5.8698 -6.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1798 4.9485 -5.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8929 8.1357 -3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5764 9.1051 -4.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6121 3.9008 -6.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 3.8106 -7.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 2.8613 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 2.9987 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 1.0420 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 -0.4839 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 0.5596 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 0.6970 -1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 4.0422 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 2.5163 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 1.0756 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -0.4589 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4479 0.9325 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 4.9862 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 0.9272 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 1.6772 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 5.7359 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 3.6440 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9085 7.8136 -3.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2606 8.5991 -3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5412 13.5770 -3.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9283 13.0275 0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 14.4744 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 10.0020 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8733 11.0143 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5033 9.6206 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 11.2135 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3434 11.5962 -4.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9945 10.0080 -4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2868 6.6720 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0817 5.3623 -1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 4.3791 -3.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1129 7.6561 -6.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0933 5.7549 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3478 8.6112 -5.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8657 9.5941 -5.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 9.8496 -4.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 4.7053 -8.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 3.7256 -8.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3402 2.9321 -8.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 6 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 6 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 55 1 0 0 0 0 10 11 2 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 57 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 59 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 60 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 61 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 62 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 39 2 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 38 2 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > (343) 2-aminopyrimidine carbamate, 29 > (343) 200 > (343) 1 > (343) VEGFR-2 (KDR) > (343) 341 > (343) VEGFR2-P341 $$$$ 30 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 76 81 0 0 0 0 0 0 0 0999 V2000 0.2841 0.7714 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 2.7157 -3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 3.4664 -3.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 1.5220 -3.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.2760 -3.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 2.9617 -2.9382 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 0.5273 -3.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 3.6751 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 3.3513 -2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6627 4.7029 -4.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 5.4063 -4.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 5.0860 -3.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8509 4.0548 -2.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 5.7998 -3.4999 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8969 6.1045 -2.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 6.0882 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8344 6.9805 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3611 6.6894 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 5.8123 -1.1806 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 6.6762 -2.5448 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0775 7.5813 -1.6672 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 8.9236 -1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1946 9.6131 -1.5174 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4048 9.5004 -1.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4471 10.8581 -1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6004 12.8820 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5572 11.5022 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3860 11.6015 -2.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4297 12.9811 -2.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5341 13.6210 -1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2727 10.9048 -4.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 10.6975 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2120 6.7913 -1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1924 6.6906 -0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3036 5.9306 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3485 6.1171 -3.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4870 5.3256 -3.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4778 5.2332 -2.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6158 4.4393 -2.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7538 3.7759 -3.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7822 3.8709 -4.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6625 4.6220 -4.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.2937 -3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 0.9291 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 2.8956 -2.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 3.0682 -4.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 3.3086 -4.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 4.5314 -3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3507 1.1696 -2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 1.3422 -4.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 0.6312 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 0.9211 -4.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8196 -0.5261 -3.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 2.5496 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 4.9518 -4.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 6.2054 -4.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 3.8031 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 6.0805 -4.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 5.8457 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 6.9249 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 13.3840 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3825 13.5604 -3.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5681 14.6996 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2206 10.7659 -4.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7511 11.5110 -4.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7642 9.9335 -4.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6707 10.4738 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1912 11.2703 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 9.7662 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 7.2243 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 5.8632 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5853 6.1964 -3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3773 4.3562 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6297 3.1670 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9164 3.3345 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9157 4.6828 -5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 6 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 6 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 54 1 0 0 0 0 10 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 56 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 59 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 60 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 61 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 38 2 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 72 1 0 0 0 0 37 42 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 73 1 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0 41 42 2 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 M END > (344) 2-aminopyrimidine carbamate, 30 > (344) 130 > (344) 1 > (344) VEGFR-2 (KDR) > (344) 342 > (344) VEGFR2-P342 $$$$ 31 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 80 85 0 0 0 0 0 0 0 0999 V2000 0.2858 0.7705 -2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9586 2.7155 -3.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 3.4660 -3.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 1.5211 -3.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 1.2758 -3.8375 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 2.9607 -2.9548 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9949 0.5272 -3.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 3.6739 -3.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 3.3495 -2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 4.7023 -4.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 5.4059 -4.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 5.0853 -3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8526 4.0532 -2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 5.7992 -3.5096 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 6.1042 -2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 6.0883 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 6.9809 -1.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 6.6901 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 5.8118 -1.1898 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0819 6.6761 -2.5514 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 7.5813 -1.6707 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1898 8.9234 -1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1948 9.6134 -1.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4052 9.4998 -1.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 10.8574 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 12.8810 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5569 11.5012 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3887 11.6012 -2.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 12.9807 -2.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5355 13.6203 -1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2772 10.9047 -4.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6273 10.6962 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2111 6.7911 -1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 6.6873 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3054 5.9097 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3557 6.1072 -3.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4717 5.3284 -3.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4554 5.2273 -2.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 4.3900 -2.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8087 3.7071 -3.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9287 2.9295 -3.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8999 2.8273 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7545 3.5025 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6416 4.2879 -1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 -0.2945 -3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 0.9277 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 2.8948 -2.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 3.0685 -4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 3.3088 -4.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 4.5310 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 1.1681 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 1.3417 -4.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 0.6306 -2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 0.9216 -4.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 -0.5260 -3.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 2.5471 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 4.9514 -4.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 6.2054 -4.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7062 3.8010 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 6.0800 -4.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 5.8457 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 6.9260 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6845 13.3828 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 13.5602 -3.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5692 14.6989 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2255 10.7660 -4.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7568 11.5111 -4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7686 9.9334 -4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6688 10.4724 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1887 11.2688 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0755 9.7650 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0712 7.2165 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 5.8297 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5931 6.1856 -3.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5836 4.7971 -4.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0508 3.7860 -4.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0470 2.3996 -4.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7748 2.2177 -3.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5156 3.4186 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5314 4.8185 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 6 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 6 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 7 55 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 56 1 0 0 0 0 10 11 2 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 60 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 61 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 62 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 63 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 38 2 0 0 0 0 35 73 1 0 0 0 0 36 37 2 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 41 42 2 0 0 0 0 41 77 1 0 0 0 0 42 43 1 0 0 0 0 42 78 1 0 0 0 0 43 44 2 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END > (345) 2-aminopyrimidine carbamate, 31 > (345) 590 > (345) 1 > (345) VEGFR-2 (KDR) > (345) 343 > (345) VEGFR2-P343 $$$$ 32 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 80 85 0 0 0 0 0 0 0 0999 V2000 0.2881 0.7739 -2.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 2.7196 -3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 3.4710 -3.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 1.5253 -3.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 1.2804 -3.8619 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 2.9646 -2.9712 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 0.5311 -3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 3.6784 -3.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 3.3531 -2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 4.7083 -4.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 5.4122 -4.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 5.0901 -3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 4.0571 -2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 5.8037 -3.5114 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 6.1066 -2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 6.0871 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 6.9812 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3557 6.6886 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 5.8126 -1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0835 6.6783 -2.5486 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0775 7.5812 -1.6631 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 8.9233 -1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1959 9.6135 -1.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4065 9.4992 -1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4498 10.8567 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 12.8782 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5569 11.4985 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3928 11.6024 -2.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4370 12.9818 -2.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5384 13.6193 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 10.9082 -4.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6249 10.6913 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 6.7903 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1886 6.6849 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3095 5.9052 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3590 6.1078 -3.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 5.3227 -3.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4652 5.2269 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 4.5894 -4.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7809 3.8034 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6719 4.6798 -5.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8285 3.9957 -6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9547 3.2211 -6.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9273 3.1236 -5.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.2908 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 0.9293 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 2.8972 -2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 3.0735 -4.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 3.3156 -4.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 4.5357 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 1.1714 -2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 1.3478 -4.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 0.6327 -2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 0.9264 -4.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -0.5217 -3.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 2.5497 -1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 4.9584 -4.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 6.2131 -4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7048 3.8042 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4411 6.0857 -4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 5.8433 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9424 6.9230 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6837 13.3783 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3926 13.5628 -3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5724 14.6979 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2319 10.7703 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 11.5156 -4.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7741 9.9366 -4.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 10.4667 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1851 11.2628 1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0729 9.7606 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0715 7.2140 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0658 5.8267 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 6.1849 -3.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3423 4.6186 -2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5409 3.7266 -4.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 5.2838 -5.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0702 4.0651 -7.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0729 2.6869 -7.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8027 2.5141 -6.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 6 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 6 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 7 55 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 56 1 0 0 0 0 10 11 2 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 60 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 61 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 62 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 63 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 38 2 0 0 0 0 35 73 1 0 0 0 0 36 37 2 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 44 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 42 43 2 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END > (346) 2-aminopyrimidine carbamate, 32 > (346) 1900 > (346) 1 > (346) VEGFR-2 (KDR) > (346) 344 > (346) VEGFR2-P344 $$$$ 33 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 82 86 0 0 0 0 0 0 0 0999 V2000 -0.2503 1.9522 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.2671 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 0.3081 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.5273 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 0.7506 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 1.5097 -1.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 0.2113 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 2.0245 -1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 2.1279 -2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 2.4363 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3488 2.9446 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9806 3.0441 -1.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3229 2.6370 -2.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 3.5601 -1.5119 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 3.3428 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6543 2.3272 1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2508 3.7310 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9051 2.9144 1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8238 2.5587 0.5287 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3686 3.9197 -0.5261 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 4.3387 0.3967 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5082 3.7511 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3518 2.6486 -0.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6882 4.3859 -0.4151 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6615 3.7374 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7601 3.2499 -3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7702 3.9101 -2.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5512 2.9061 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5394 2.2482 -1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6421 2.4175 -2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4401 2.7215 1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8089 4.8168 -3.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 5.5647 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1448 5.5849 2.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 6.7913 3.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4966 6.7617 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7071 7.9689 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1322 7.9840 2.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 9.1692 2.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 9.1107 4.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 6.7447 -0.9247 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8775 8.0098 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 1.7289 -3.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 1.8638 -4.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 2.6954 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 1.6897 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -0.5548 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -1.1418 0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 0.5705 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 -0.4352 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 3.4020 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 2.8150 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -0.0520 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -0.6773 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.9630 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 2.3600 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 3.2651 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8129 2.7183 -3.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5525 4.0697 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3571 1.6862 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6009 2.7422 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8452 3.3840 -4.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2325 1.6012 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4152 1.9020 -3.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7791 1.8816 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4276 2.5218 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0332 3.6276 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2124 5.8290 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6681 4.4571 -4.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 4.8201 -2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3174 4.6574 2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 6.8053 4.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5396 8.8981 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7346 8.5835 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9066 10.1227 4.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0428 8.5815 4.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5463 7.8535 -2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 8.5718 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8131 8.5690 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 2.9119 -5.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 1.2721 -4.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 1.5104 -5.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 6 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 6 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 7 55 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 57 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 59 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 60 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 61 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 62 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 38 2 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 44 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 M END > (347) 2-aminopyrimidine carbamate, 33 > (347) 140 > (347) 1 > (347) VEGFR-2 (KDR) > (347) 345 > (347) VEGFR2-P345 $$$$ 34 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 86 90 0 0 0 0 0 0 0 0999 V2000 0.1292 1.7092 0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 0.7649 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 1.0475 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 1.9918 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 0.5369 0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 2.2198 -0.7835 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 0.1874 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 2.5542 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 3.8061 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.6358 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5975 1.9672 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9399 3.2151 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 4.1346 -1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 3.5485 -1.5274 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6719 4.2824 -2.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1018 5.2678 -4.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3294 5.3913 -3.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 5.7031 -4.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 4.5682 -3.5662 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9294 4.6858 -2.7407 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6505 5.8137 -3.8982 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0402 6.9612 -3.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 7.6721 -2.7615 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3383 7.3200 -3.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6635 8.4889 -2.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3362 9.6858 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0061 8.4966 -1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6587 9.6752 -3.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9896 10.8618 -2.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3252 10.8677 -1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 9.6695 -4.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0178 7.2088 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 5.0443 -4.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7633 5.2705 -5.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6760 4.5131 -6.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 4.0569 -3.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2320 3.2999 -4.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4087 3.5255 -6.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3051 2.7815 -6.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4404 3.0713 -8.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1429 3.8371 -2.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9352 2.8088 -2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 4.7070 -1.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 5.9728 -2.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.4134 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 -0.4793 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 1.5113 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4447 2.5743 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 1.6192 -1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -0.1215 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 0.1824 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 1.2455 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 2.8782 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 1.1375 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 1.0278 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8999 -0.6833 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 -0.0417 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3703 1.2545 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 5.1065 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9513 3.2655 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 5.4960 -5.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 6.2752 -5.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6030 9.6923 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9864 11.7856 -3.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 11.7964 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2183 9.8133 -4.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 10.4765 -5.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5778 8.7144 -5.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0069 6.7550 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7774 7.4153 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2776 6.5247 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1936 6.0387 -6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8185 4.6903 -7.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8064 2.5340 -4.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1856 2.4077 -8.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4822 2.9206 -8.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7565 4.1068 -8.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6978 2.7377 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7202 1.8565 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9918 3.0477 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 6.5948 -2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 6.4655 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 5.8236 -3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5798 -0.6763 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -0.0270 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 -1.4158 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 49 1 0 0 0 0 2 50 1 0 0 0 0 3 6 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 7 57 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 60 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 61 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 62 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 63 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 38 2 0 0 0 0 35 73 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 46 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END > (348) 2-aminopyrimidine carbamate, 34 > (348) 170 > (348) 1 > (348) VEGFR-2 (KDR) > (348) 346 > (348) VEGFR2-P346 $$$$ 35 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 78 82 0 0 0 0 0 0 0 0999 V2000 -1.5801 5.6964 -2.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0134 3.4377 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 3.8642 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 6.1228 -2.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 4.5850 -1.6237 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 4.9755 -2.5683 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 4.1963 -1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 5.3463 -2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 5.2746 -3.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 5.7906 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 6.1561 -1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 6.0799 -2.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 5.6406 -3.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 6.4513 -2.1194 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 5.7277 -2.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 3.9066 -4.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 5.4873 -3.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9731 4.3186 -4.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 4.6247 -3.4325 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3433 6.1586 -2.7582 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6168 5.9425 -3.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 6.8591 -4.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 7.2185 -5.1442 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2721 7.3765 -4.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6274 8.2960 -5.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7527 10.5767 -5.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3908 9.6442 -4.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 7.8882 -6.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5922 8.8246 -7.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3503 10.1673 -7.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 6.4251 -6.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7392 10.0911 -3.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 5.4471 -2.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2737 4.3225 -2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1537 3.8348 -1.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6363 6.0886 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5191 5.5979 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 4.4691 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1425 3.9870 0.4366 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8941 2.8244 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8935 7.1949 -0.8937 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0740 7.8008 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 4.8471 -4.7507 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2398 6.5380 -2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 5.3744 -3.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 3.0901 -2.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 2.6328 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 4.1861 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 3.0225 -1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 6.9278 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 6.4704 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 3.8819 -2.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 3.3720 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 5.0464 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 5.8508 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 6.5017 -0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 5.5856 -4.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 7.2152 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3649 3.0091 -4.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7312 3.7510 -4.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 11.6264 -5.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 8.5077 -8.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6325 10.8978 -7.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 5.9794 -7.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3801 6.3161 -7.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 5.9215 -5.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 10.2877 -2.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1667 11.0009 -3.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0724 9.3079 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1801 3.8270 -3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 2.9582 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 6.0939 0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2116 2.0030 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4993 3.0377 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5449 2.5458 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4236 8.6713 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8232 7.0821 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1129 8.1110 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 6 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 6 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 56 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 16 59 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 60 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 61 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 38 2 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > (349) 2-aminopyrimidine carbamate, 35 > (349) 260 > (349) 1 > (349) VEGFR-2 (KDR) > (349) 347 > (349) VEGFR2-P347 $$$$ 36 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 76 79 0 0 0 0 0 0 0 0999 V2000 2.8471 1.5026 -2.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 2.3192 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 2.0474 -3.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 3.4027 -3.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 4.2200 -2.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 3.6746 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 5.5945 -2.3338 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 6.2637 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 6.1758 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 8.2518 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 7.5486 1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 5.5709 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 7.5811 -1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 9.6352 0.0417 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 10.4273 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 9.9373 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 11.7618 -0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 12.5024 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 13.5352 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 12.7824 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 12.9841 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6275 13.7364 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1091 14.0098 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 12.6874 2.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 12.2654 -2.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 10.2065 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 10.4998 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 11.0619 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 10.4843 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 11.0476 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 11.3339 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 11.8866 0.6947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 12.1604 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 10.2033 -2.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 10.5148 -3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 0.1681 -2.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -0.6131 -3.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 -2.0788 -3.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -2.6016 -1.9883 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -2.6492 -1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -3.9237 -1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 1.8949 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.4116 -3.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 3.8268 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 4.3103 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 6.0779 -3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2956 5.6023 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 8.0661 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 13.7531 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 14.1117 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0068 14.5981 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 11.7585 2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 13.5028 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 12.5863 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 12.9983 -3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 12.0960 -3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 11.3281 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 10.2885 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 11.2895 2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 11.2641 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 12.8590 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 12.5985 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 11.2327 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 9.9571 -3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 11.5834 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 10.2414 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -0.5269 -3.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.2508 -4.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 -2.6598 -4.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -2.1542 -3.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -3.2983 -2.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -3.0399 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 -1.6447 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -3.8458 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7552 -4.2874 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 -4.6190 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 42 1 0 0 0 0 3 4 2 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 11 2 0 0 0 0 9 47 1 0 0 0 0 10 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 48 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > (350) 2-aminopyrimidine carbamate, 36 > (350) 220 > (350) 1 > (350) VEGFR-2 (KDR) > (350) 348 > (350) VEGFR2-P348 $$$$ 37 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 79 82 0 0 0 0 0 0 0 0999 V2000 2.8471 1.5026 -2.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 2.3192 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 2.0474 -3.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 3.4027 -3.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 4.2200 -2.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 3.6746 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 5.5945 -2.3338 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 6.2637 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 6.1758 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 8.2518 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 7.5486 1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 5.5709 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 7.5811 -1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 9.6352 0.0417 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 10.4273 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 9.9373 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 11.7618 -0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 12.5024 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 13.5352 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 12.7824 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 12.9841 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6275 13.7364 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1091 14.0098 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 12.6874 2.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 12.2654 -2.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 10.2065 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 10.4998 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 11.0619 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 10.4843 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 11.0476 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 11.3339 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 11.8866 0.6947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 12.1604 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 10.2033 -2.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 10.5148 -3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 0.1681 -2.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -0.6131 -3.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 -2.0788 -3.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 -2.9152 -4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 -4.3225 -4.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -4.8871 -2.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 -5.1156 -5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 1.8949 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.4116 -3.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 3.8268 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 4.3103 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 6.0779 -3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2956 5.6023 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 8.0661 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 13.7531 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 14.1117 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0068 14.5981 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 11.7585 2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 13.5028 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 12.5863 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 12.9983 -3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 12.0960 -3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 11.3281 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 10.2885 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 11.2895 2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 11.2641 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 11.2327 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 12.8590 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 12.5985 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 11.5834 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 10.2414 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 9.9571 -3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -0.5269 -3.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.2508 -4.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -2.1650 -3.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5968 -2.4411 -2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.8291 -4.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 -2.5529 -5.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 -4.8274 -2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 -5.9297 -2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -4.3231 -2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -4.7177 -6.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -6.1533 -5.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -5.0641 -5.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 43 1 0 0 0 0 3 4 2 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 11 2 0 0 0 0 9 48 1 0 0 0 0 10 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 49 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 M END > (351) 2-aminopyrimidine carbamate, 37 > (351) 230 > (351) 1 > (351) VEGFR-2 (KDR) > (351) 349 > (351) VEGFR2-P349 $$$$ 38 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 85 89 0 0 0 0 0 0 0 0999 V2000 -0.0996 0.3647 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 1.1364 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9254 2.4916 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 3.0821 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 2.3100 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 4.4561 0.7349 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 4.9371 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 4.5103 1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 6.7284 1.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 5.8571 1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 4.0876 1.2409 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 6.2360 1.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 8.0928 1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 8.9167 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 8.4585 -0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 10.2479 1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 11.0216 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 12.2865 -1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 11.5000 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 11.3390 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3634 12.1259 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 12.5975 -2.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 10.8262 0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 11.1614 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 8.6119 3.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 8.7055 4.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 9.2163 5.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 9.0385 3.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 9.5503 4.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 9.6367 5.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 10.1387 7.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 10.2039 7.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 8.9530 2.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 9.4091 3.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -0.9697 -0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -1.5096 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -3.0126 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -5.7880 1.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -5.1378 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.3034 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -3.9535 3.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -3.6787 0.8802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -5.4126 2.9173 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -6.0788 3.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 0.9545 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 0.2031 -0.7356 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 0.6779 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 3.0921 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 2.7693 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 5.0708 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 3.8100 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 6.2277 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 12.6588 -2.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 12.3733 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 13.2125 -3.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 9.8603 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 11.5339 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 10.7135 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 11.9214 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 11.1290 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 10.1890 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 8.3788 3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 9.2879 5.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 9.8820 5.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 10.8375 7.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7543 10.6224 8.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 9.2014 7.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 10.4623 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 9.2854 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 8.8273 4.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -1.3397 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -1.0205 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -3.4173 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 -3.1843 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -6.8719 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 -5.4441 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 -5.3913 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -5.5025 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -3.6473 2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5733 -2.2195 2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -3.5888 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -3.7001 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 -5.7876 3.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -5.7835 4.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 -7.1595 3.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 45 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 45 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 10 2 0 0 0 0 8 51 1 0 0 0 0 9 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 52 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 18 53 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 30 2 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 42 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 43 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 42 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 43 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 43 44 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 46 1 0 0 0 0 M END > (352) 2-aminopyrimidine carbamate, 38 > (352) 570 > (352) 1 > (352) VEGFR-2 (KDR) > (352) 350 > (352) VEGFR2-P350 $$$$ 39 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 93 97 0 0 0 0 0 0 0 0999 V2000 -0.1680 1.0980 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 3.3095 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 3.8483 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 3.0123 -1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 5.2360 -0.6667 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 5.7669 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 5.4166 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 7.6227 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 6.7833 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 4.9461 -0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8108 7.0827 -0.5611 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 9.0047 -0.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 9.6917 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 9.0969 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 11.0374 -1.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 11.6681 -2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 12.6776 -4.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 12.0367 -3.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5652 11.9494 -3.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 12.5904 -4.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 12.9517 -5.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8404 11.5564 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 11.7378 -2.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 9.6844 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 9.8855 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 10.5538 2.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 10.1621 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 10.8317 2.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 11.0247 3.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 11.6810 4.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 11.8495 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 9.9715 0.8231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 10.4882 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -0.2516 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -0.9588 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -2.4520 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 -4.9033 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 -4.4198 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -2.6136 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -3.0971 -2.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 -2.9664 -0.8126 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -4.5505 -2.2967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 -5.0650 -3.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 1.6385 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 1.9359 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 1.4082 0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 2.3283 1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 0.8197 -1.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 1.4437 -2.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 3.9607 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 3.4325 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 5.8255 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 4.7394 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 7.1927 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 12.9647 -5.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 12.8099 -5.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 13.4528 -6.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1297 10.5518 -2.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 12.2591 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 11.5740 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 12.5751 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 11.5862 -3.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 10.8359 -2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4116 9.5194 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 10.7093 3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 11.2032 3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 12.4178 4.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 12.3874 5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 10.8721 5.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 10.0230 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1165 11.5672 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1278 10.2686 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -0.8066 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -0.5868 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -2.9857 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -2.6002 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -5.9852 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4453 -4.4264 -3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -4.6547 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -4.9173 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4937 -3.0906 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 -1.5318 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -2.5997 -3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6387 -2.8622 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -4.6361 -4.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -4.7898 -3.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9288 -6.1507 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 1.7776 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 2.9098 1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 2.9992 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 0.6793 -2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 2.1086 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 2.0193 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 44 2 0 0 0 0 1 45 1 0 0 0 0 2 45 2 0 0 0 0 2 3 1 0 0 0 0 2 50 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 44 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 52 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 53 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 54 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 55 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 41 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 42 1 0 0 0 0 37 38 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 41 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 40 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 42 43 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 48 49 1 0 0 0 0 49 91 1 0 0 0 0 49 92 1 0 0 0 0 49 93 1 0 0 0 0 M END > (353) 2-aminopyrimidine carbamate, 39 > (353) 230 > (353) 1 > (353) VEGFR-2 (KDR) > (353) 351 > (353) VEGFR2-P351 $$$$ 40 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 89 93 0 0 0 0 0 0 0 0999 V2000 0.0063 1.4114 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 3.3233 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 4.1494 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8885 3.6072 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 5.5308 0.0462 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 6.2397 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 6.2245 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 8.2683 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 7.6018 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 5.5811 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 7.5599 0.2429 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 9.6544 0.4423 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 10.4131 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 9.8932 -1.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 11.7476 -0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 12.4535 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 13.3998 -3.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 12.6821 -2.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 12.9515 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 13.6686 -3.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 13.8902 -4.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 12.7108 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 12.1475 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 10.2632 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3885 10.6103 2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 11.2090 3.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 10.5242 2.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 11.1245 3.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 11.4639 4.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 12.0521 5.4304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 12.3803 5.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2065 10.1903 1.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 10.4874 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 0.0679 -0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -0.7150 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 -2.1890 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 -3.9433 -3.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -3.7988 -2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 -1.6775 -1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.8433 -3.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 -2.3715 -1.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 2.2397 -1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 1.9556 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 1.1466 0.8671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 1.7739 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 1.7087 -2.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 2.6189 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -3.2366 -3.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 3.7463 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 4.2510 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9216 5.9914 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3489 5.6786 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 8.1504 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 13.5780 -3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8205 14.0567 -3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 14.4510 -5.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 11.7822 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 13.5391 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 12.6368 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 12.8894 -0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 11.9351 -2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 11.2314 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3097 10.4124 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 11.4784 3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 11.3281 4.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 11.4727 6.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 13.0760 5.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 12.8425 6.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 9.9574 3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 11.5606 2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 10.1709 2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -0.3832 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 -0.5938 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 -2.7958 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 -2.4969 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -4.9980 -3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 -3.5280 -4.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -4.2877 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 -4.2619 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -2.1068 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4745 -0.6180 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4262 -1.3669 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -1.3792 -3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4165 1.0174 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 2.2907 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 2.4921 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 2.0665 -3.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 3.3418 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 3.1427 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 42 2 0 0 0 0 1 43 1 0 0 0 0 2 43 2 0 0 0 0 2 3 1 0 0 0 0 2 49 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 42 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 51 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 52 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 53 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 54 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 26 29 2 0 0 0 0 26 64 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 41 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 48 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 41 1 0 0 0 0 39 40 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 48 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 47 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 M END > (354) 2-aminopyrimidine carbamate, 40 > (354) 170 > (354) 1 > (354) VEGFR-2 (KDR) > (354) 352 > (354) VEGFR2-P352 $$$$ 41 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 86 90 0 0 0 0 0 0 0 0999 V2000 -0.0214 1.4161 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 3.3235 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 4.1478 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 3.6020 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0858 5.5296 0.0512 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 6.2349 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 6.2127 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 8.2603 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 7.5901 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 5.5728 0.1254 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 7.5552 0.2445 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 9.6466 0.4411 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 10.4050 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 9.8847 -1.7665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 11.7395 -0.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 12.4451 -1.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 13.3912 -3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 12.6735 -2.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 12.9428 -2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 13.6600 -3.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 13.8822 -4.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 12.7019 -1.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 12.1386 -1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 10.2560 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 10.5996 2.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 11.1994 3.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 10.5210 2.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 11.1224 3.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 11.4592 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 12.0492 5.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 12.3741 5.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 10.1901 1.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 10.4913 2.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 0.0744 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -0.7135 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -2.1867 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 2.2394 -1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 1.9612 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -3.0303 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 -6.7758 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 -5.3087 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 -4.6709 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -6.1190 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -7.0648 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -4.4448 -0.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 3.7478 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 4.2429 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 5.9926 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 5.6640 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 8.1359 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 13.5693 -3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 14.0477 -3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 14.4431 -5.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 11.7733 -2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0068 13.5301 -1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 12.6279 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 12.8804 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 11.9262 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 11.2226 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 10.3983 1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 11.4658 3.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 11.3287 4.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 11.4647 6.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 13.0671 5.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 12.8382 6.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 11.5648 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 10.1768 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 9.9620 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8233 -0.5911 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -0.3873 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -2.3091 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2151 -2.5129 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 1.8148 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 1.3200 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -2.9079 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8245 -2.7041 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 -6.9713 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -7.4169 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 -5.1173 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -5.0960 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -3.9951 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0299 -4.4826 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 -6.2909 -2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 -6.3042 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -8.0973 -1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 -6.9069 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 2 0 0 0 0 1 38 1 0 0 0 0 2 38 2 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 37 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 48 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 49 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 50 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 51 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 26 29 2 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 45 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 45 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 45 1 0 0 0 0 42 43 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 M END > (355) 2-aminopyrimidine carbamate, 41 > (355) 350 > (355) 1 > (355) VEGFR-2 (KDR) > (355) 353 > (355) VEGFR2-P353 $$$$ 42 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 92 96 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.3568 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 3.4243 -0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 4.1284 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 3.4444 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 5.5284 0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 6.2020 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 6.1178 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 8.1990 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 7.4956 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4117 5.5088 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 7.5238 -0.1566 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 9.5869 -0.3395 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 10.3364 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 9.8039 1.8704 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 11.6757 0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 12.3718 1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 13.3383 3.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 12.6307 2.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 12.8294 2.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 13.5366 3.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 13.7888 4.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 12.5557 1.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 12.1400 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 10.2072 -1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 10.5234 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 11.1333 -3.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 10.5104 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3383 11.1220 -3.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 11.4304 -4.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 12.0296 -5.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 12.3242 -5.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 10.2069 -1.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 10.5468 -2.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -0.0037 -0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -0.6598 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -2.1752 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 2.0595 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 2.0426 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -2.8776 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 -6.5498 -1.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -5.0431 -2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 -4.7571 -2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -6.2639 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -4.3326 -1.4353 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8771 1.3873 1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 2.1732 2.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -6.9744 -2.4531 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2306 -8.4293 -2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 3.9571 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 3.9915 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 6.0265 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 5.5439 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 8.0166 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 13.5398 4.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2215 13.8931 4.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 14.3418 5.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 11.6112 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 13.3615 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 12.4965 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 12.9003 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 11.9417 2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 11.2231 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 10.2926 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 11.3786 -3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 11.3580 -4.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 12.9978 -5.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8158 12.7995 -6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 11.4001 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 10.0256 -3.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 11.6228 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 10.2511 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.3854 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -0.3551 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -2.4496 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -2.4799 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 1.4967 -1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -2.6032 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7847 -2.5729 -2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 -6.7761 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 -7.0805 -2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 -4.8201 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7688 -4.7210 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 -4.2265 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -4.5308 -3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 -6.5860 -2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -6.4869 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 2.8166 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 2.7875 2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 1.5149 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -8.9308 -2.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -8.7165 -2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 -8.7203 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 2 0 0 0 0 1 38 1 0 0 0 0 2 38 2 0 0 0 0 2 3 1 0 0 0 0 2 49 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 37 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 51 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 52 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 53 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 54 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 26 29 2 0 0 0 0 26 64 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 39 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 45 1 0 0 0 0 38 76 1 0 0 0 0 39 44 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 47 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 44 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 44 1 0 0 0 0 42 43 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 47 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 45 46 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 47 48 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 M END > (356) 2-aminopyrimidine carbamate, 42 > (356) 210 > (356) 1 > (356) VEGFR-2 (KDR) > (356) 354 > (356) VEGFR2-P354 $$$$ 43 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 96100 0 0 0 0 0 0 0 0999 V2000 0.0011 1.4130 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 3.3250 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 4.1508 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 3.6085 -1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 5.5322 0.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 6.2403 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 6.2236 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 8.2681 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 7.6008 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 5.5809 0.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 7.5604 0.2454 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 9.6542 0.4456 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 10.4134 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 9.8939 -1.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 11.7478 -0.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 12.4542 -1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 13.4012 -3.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 12.6831 -2.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 12.9523 -2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9232 13.6699 -3.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 13.8922 -4.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 12.7113 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 12.1483 -1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 10.2626 1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 10.6086 2.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 11.2077 3.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 10.5241 2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 11.1245 3.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 11.4637 4.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 12.0527 5.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 12.3807 5.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2064 10.1908 1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3836 10.4885 2.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 0.0695 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -0.7139 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -2.1878 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 2.2410 -1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 -3.0265 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -6.6960 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 -5.2462 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 -4.9640 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -6.4138 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -4.4417 0.1512 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 1.7098 -2.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.6198 -2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -7.2184 0.6186 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -8.6335 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 1.9574 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 1.1486 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 1.7761 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 3.7482 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 4.2521 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 5.9932 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 5.6771 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 8.1487 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 13.5793 -3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 14.0579 -3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 14.4531 -4.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 11.7829 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 13.5397 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 12.6370 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 12.8898 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 11.9362 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 11.2320 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 10.4096 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 11.4767 3.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 11.3285 4.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 12.8436 6.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 11.4728 6.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0643 13.0757 5.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 10.1724 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 9.9585 3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 11.5617 2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 -0.3825 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -0.5927 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2789 -2.5192 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -2.3089 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -2.6951 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 -2.9053 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -6.7355 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -7.3006 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 -5.2100 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -4.8475 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -4.3594 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -4.9245 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -6.8125 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -6.4500 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1647 3.3430 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 3.1432 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 2.0672 -3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -9.2165 0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0205 -8.9947 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 -8.7394 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 1.0198 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 2.2926 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 2.4946 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 2 0 0 0 0 1 48 1 0 0 0 0 2 48 2 0 0 0 0 2 3 1 0 0 0 0 2 51 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 37 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 53 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 54 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 55 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 56 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 29 2 0 0 0 0 26 66 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 44 1 0 0 0 0 38 43 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 40 1 0 0 0 0 39 46 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 43 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 43 1 0 0 0 0 41 42 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 46 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 44 45 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 M END > (357) 2-aminopyrimidine carbamate, 43 > (357) 140 > (357) 1 > (357) VEGFR-2 (KDR) > (357) 355 > (357) VEGFR2-P355 $$$$ 44 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 88 92 0 0 0 0 0 0 0 0999 V2000 -0.0193 1.4162 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 3.3241 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 4.1496 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 3.6054 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 5.5311 0.0511 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 6.2379 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 6.2184 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 8.2645 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 7.5957 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 5.5771 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 7.5581 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 9.6507 0.4422 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 10.4094 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 9.8896 -1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 11.7437 -0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 12.4496 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 13.3946 -3.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 12.6769 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 12.9488 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 13.6659 -3.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 13.8862 -4.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 12.7095 -1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 12.1409 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 10.2596 1.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 10.6045 2.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 11.2038 3.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 10.5229 2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 11.1234 3.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 11.4614 4.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 12.0510 5.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 12.3777 5.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 10.1912 1.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 10.4906 2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 0.0739 -0.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -0.7141 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -2.1875 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 2.2409 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -3.0311 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -6.7758 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4537 -5.3102 0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 -4.6749 -1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -6.1406 -1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 -4.4457 -0.1218 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -7.0050 -1.0157 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -8.4196 -1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9612 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 1.7102 -2.1229 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 3.7478 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5745 4.2473 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 5.9932 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 5.6708 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3345 8.1426 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 13.5718 -3.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 14.0550 -3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 14.4470 -5.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 11.7814 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9956 13.5386 -1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 12.6354 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 12.8823 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 11.9278 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 11.2251 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 10.4045 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 11.4715 3.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 11.3287 4.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 12.8412 6.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 11.4691 6.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 13.0718 5.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 10.1757 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 9.9607 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 11.5639 2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 -0.5909 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.3886 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.3106 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -2.5129 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -2.9080 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -2.7056 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1363 -7.0059 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 -7.4181 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 -5.0873 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 -5.1311 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 -4.0326 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 -4.4448 -1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -6.3196 -2.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 -6.3634 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -9.0318 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 -8.5613 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 -8.7155 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 1.3199 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 2 0 0 0 0 1 46 1 0 0 0 0 2 46 2 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 37 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 50 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 51 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 52 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 53 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 26 29 2 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 47 1 0 0 0 0 38 43 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 43 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 43 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 44 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 44 45 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 46 88 1 0 0 0 0 M END > (358) 2-aminopyrimidine carbamate, 44 > (358) 590 > (358) 1 > (358) VEGFR-2 (KDR) > (358) 356 > (358) VEGFR2-P356 $$$$ 45 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 86 90 0 0 0 0 0 0 0 0999 V2000 -0.0193 1.4162 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 3.3241 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 4.1496 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 3.6054 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 5.5311 0.0511 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 6.2379 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 6.2184 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 8.2645 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 7.5957 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 5.5771 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 7.5581 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 9.6507 0.4422 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 10.4094 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 9.8896 -1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 11.7437 -0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 12.4496 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 13.3946 -3.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 12.6769 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 12.9488 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 13.6659 -3.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 13.8862 -4.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 12.7095 -1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 12.1409 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 10.2596 1.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 10.6045 2.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 11.2038 3.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 10.5229 2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 11.1234 3.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 11.4614 4.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 12.0510 5.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 12.3777 5.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 10.1912 1.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 10.4906 2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 0.0739 -0.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -0.7141 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -2.1875 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 2.2409 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -3.0311 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -6.7767 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 -5.3095 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -4.6730 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 -6.1211 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 -4.4457 -0.1218 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9612 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 1.7102 -2.1229 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -7.0668 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 3.7478 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5745 4.2473 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 5.9932 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 5.6708 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3345 8.1426 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 13.5718 -3.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 14.0550 -3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 14.4470 -5.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 11.7814 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9956 13.5386 -1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 12.6354 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 12.8823 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 11.9278 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 11.2251 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 10.4045 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 11.4715 3.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 11.3287 4.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 11.4691 6.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 13.0718 5.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 12.8412 6.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 11.5639 2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 10.1757 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 9.9607 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 -0.5909 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.3886 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.3106 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -2.5129 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -2.9080 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -2.7056 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 -6.9714 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 -7.4177 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 -5.1189 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2173 -5.0961 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -3.9972 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 -4.4853 -1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8882 -6.2938 -2.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 -6.3056 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 1.3199 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -8.0993 -1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 -6.9095 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 2 0 0 0 0 1 44 1 0 0 0 0 2 44 2 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 37 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 7 50 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 51 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 52 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 26 29 2 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 45 1 0 0 0 0 38 43 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 39 46 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 43 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 43 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 46 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 44 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END > (359) 2-aminopyrimidine carbamate, 45 > (359) 620 > (359) 1 > (359) VEGFR-2 (KDR) > (359) 357 > (359) VEGFR2-P357 $$$$ 5 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 48 51 0 0 0 0 0 0 0 0999 V2000 -0.6736 1.6180 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2824 -0.4857 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 2.1744 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 1.2962 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 3.5571 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 1.8241 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 3.1689 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 0.3092 0.7778 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -0.0218 0.5807 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 -1.8530 0.8174 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 4.0460 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 5.5090 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 7.4904 0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 6.1286 0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 6.2639 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 7.6380 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 8.2473 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0821 5.3102 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0174 8.4480 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 7.9158 -2.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 9.7763 -1.8536 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 10.5247 -2.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 11.8377 -2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 9.9588 -4.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 10.7007 -5.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 12.0054 -4.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 12.5740 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 10.0875 -6.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 9.1344 -6.6901 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 9.4721 -6.3453 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 11.0867 -7.3629 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 2.2510 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 4.2347 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8691 1.1628 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1893 3.5682 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 -2.2152 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 -2.4498 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 7.9650 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 5.7874 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 9.3119 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 4.9522 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 5.9274 2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 4.4590 2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 10.2133 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 12.2821 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 8.9397 -4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 12.5834 -5.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 13.5947 -3.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 3 1 0 0 0 0 1 32 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 6 1 0 0 0 0 5 11 2 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 M END > (360) 2-aminoquinazoline 5 > (360) 2 > (360) 1 > (360) VEGFR-2 (KDR) > (360) 358 > (360) VEGFR2-P358 $$$$ 1 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 55 59 0 0 0 0 0 0 0 0999 V2000 -0.0066 1.3405 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 -0.6460 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.0167 0.4016 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 -0.0523 0.2487 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 2.0349 0.2876 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 1.3128 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 2.3081 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4494 -0.0745 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2929 1.7217 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0084 2.5161 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1649 0.7199 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8954 1.5840 0.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5624 0.8576 -0.0747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 2.0138 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 1.2689 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 3.3989 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 3.4155 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 2.1292 -0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 4.5873 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 6.8179 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 5.8757 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 4.7624 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 5.5401 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 6.6483 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 4.5999 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 5.8831 -1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 6.8161 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 6.6491 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7585 5.5470 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 4.7768 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1339 -1.7201 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 3.0000 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 0.6002 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 0.7790 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 3.0207 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 2.8419 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6669 -0.6947 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -0.7092 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1741 1.1074 1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1254 2.4111 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1368 3.1508 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7909 3.1363 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3324 0.0305 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2837 1.3342 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7491 1.4068 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 7.6877 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 6.0143 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2249 4.0281 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 5.4089 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 7.3879 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 6.0189 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 7.6806 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 7.3808 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 5.4176 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 4.0494 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 14 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 31 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 25 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > (470) 5,6-diphenylfuro[2,3-d]pyrimidin-4-amine, 1 > (470) 2600 > (470) 1 > (470) VEGFR-2 (KDR) > (470) 468 > (470) VEGFR2-P468 $$$$ Pyrazolo[3,4-d]pyrimidine 2 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 69 74 0 0 0 0 0 0 0 0999 V2000 0.8474 2.0705 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 0.2582 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 0.9209 -1.4127 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.6843 -0.5607 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8871 2.5671 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0711 3.7513 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 1.8263 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 2.5164 0.9489 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.1035 1.3219 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2684 3.1741 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3491 1.9277 2.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 1.4965 3.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 2.5670 2.7862 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6837 2.7428 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 3.1595 2.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5011 2.7298 3.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 0.4076 3.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4476 0.8373 2.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 2.1530 3.1602 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8259 1.4141 2.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1849 1.0001 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 4.8319 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7688 6.8514 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 5.5229 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 4.5155 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 6.1667 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 7.1696 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 7.8418 1.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 8.3338 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 8.3163 -1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 7.8143 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 9.3528 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9373 9.8513 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 9.3353 -1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 2.7619 -0.8984 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 3.6803 1.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -0.6717 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5084 1.1588 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 3.2993 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 4.1187 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 2.8723 3.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 1.1650 3.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8216 1.3712 4.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 0.5518 2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 3.5117 3.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 1.7982 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 3.5055 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 4.1220 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1112 3.2478 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2404 3.4604 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5092 2.6680 4.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8375 0.3193 4.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 -0.5549 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4395 0.8991 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 0.1067 2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2606 0.9402 4.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3994 0.0233 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9030 1.7295 2.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 5.2786 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 3.4825 1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 6.4148 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 8.2038 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 7.9122 -2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 7.0183 -0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 9.7557 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 10.6444 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 9.7264 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 2.3191 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 3.6901 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 20 21 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 31 2 0 0 0 0 30 34 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 M END > (854) Pyrazolo[3,4-d]pyrimidine 2 > (854) 5320 > (854) 1 > (854) VEGFR-2 (KDR) > (854) 852 > (854) VEGFR2-P852 $$$$ Pyrazolo[3,4-d]pyrimidine 3 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 70 75 0 0 0 0 0 0 0 0999 V2000 0.0341 1.9676 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 0.1850 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 0.7649 -1.4468 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 0.7492 -1.3192 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 2.6113 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 3.8927 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 1.9546 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 2.7816 -0.3042 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 2.4918 -0.3572 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 3.5592 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4437 2.4967 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 2.1940 1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 3.2614 0.1667 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0737 3.2566 -1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7981 3.9779 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 3.6853 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8340 1.3264 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 1.6190 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 2.9709 0.1136 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5454 2.3334 -1.1723 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9844 2.0429 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 4.9337 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 6.8801 1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 5.5438 1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5507 4.5738 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 6.2754 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 7.2418 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 2.5714 -0.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 3.9502 0.2121 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 7.8608 1.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 7.5650 1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 7.9974 2.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 8.2925 2.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 6.5465 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 6.2567 1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1699 6.9794 1.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -0.7927 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0262 1.5123 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 3.5558 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 4.5387 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 3.4761 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.7362 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 2.1975 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 1.2146 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4912 4.2409 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 2.2771 -1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5762 4.0170 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6109 4.9690 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4444 3.9403 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 4.4139 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6590 3.7496 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1877 1.3640 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0212 0.3353 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 1.5547 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 0.8904 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4064 2.1127 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1378 1.0364 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4769 2.7639 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 5.2651 2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 3.5359 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 6.5568 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 8.2804 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 2.0427 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 3.5241 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 8.7475 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2827 8.5625 3.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 9.0876 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 5.9822 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7699 5.4651 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2238 6.7509 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 20 21 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 23 30 1 0 0 0 0 24 25 2 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 36 2 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > (855) Pyrazolo[3,4-d]pyrimidine 3 > (855) 3810 > (855) 1 > (855) VEGFR-2 (KDR) > (855) 853 > (855) VEGFR2-P853 $$$$ Pyrazolo[3,4-d]pyrimidine 7 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 78 83 0 0 0 0 0 0 0 0999 V2000 0.5173 0.7663 2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -0.7480 3.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -0.4848 2.8844 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 0.1935 3.3719 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 1.8073 2.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 3.2663 2.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 1.4785 3.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 2.6526 3.3312 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 2.7769 3.6698 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6128 3.4749 2.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 3.6009 4.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 3.7308 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 4.4288 4.1598 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0957 3.6047 2.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4104 5.2208 3.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 5.4022 3.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7131 3.4219 5.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2540 3.2404 4.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6682 4.5534 4.4993 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4553 4.0892 4.1498 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8790 4.2139 4.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 4.0813 2.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 5.6030 1.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 4.5492 2.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 3.7910 3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 5.1427 1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 5.9010 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 1.0350 2.3799 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 3.7204 3.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 6.3708 1.5395 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 6.4912 2.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 5.8727 3.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 6.9333 0.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 7.1817 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2164 7.2972 2.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2104 7.4920 3.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7735 8.9321 4.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7927 8.7430 3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6208 6.4335 3.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6021 6.6290 4.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1759 7.8773 5.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.7786 3.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 1.7851 3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.8879 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 4.4667 2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 4.5928 4.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 3.1037 5.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 4.3178 6.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9313 2.7390 5.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 5.4206 4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5205 2.6129 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 4.1020 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 6.1959 3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3675 4.6109 2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 5.8709 3.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9142 6.0346 4.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 4.0318 6.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 2.4468 5.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2093 2.6080 3.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 2.7717 5.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9894 4.8567 5.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2876 3.2278 4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 4.6497 3.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 4.3205 3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 2.9718 3.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 5.3725 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 0.3313 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 1.9275 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 6.8158 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 8.0293 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 7.4062 0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 6.2989 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2811 7.7422 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2267 9.9047 4.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 9.5673 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1733 5.4582 3.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9219 5.8061 5.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9433 8.0276 5.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 20 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 20 21 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 23 30 1 0 0 0 0 24 25 2 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 33 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 31 35 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 39 76 1 0 0 0 0 40 41 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 M END > (856) Pyrazolo[3,4-d]pyrimidine 7 > (856) 263 > (856) 1 > (856) VEGFR-2 (KDR) > (856) 854 > (856) VEGFR2-P854 $$$$ Pyrrolo[2,3-d]pyrimidine 1 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 70 75 0 0 0 0 0 0 0 0999 V2000 -0.0458 1.3241 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -0.6746 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -0.0045 -0.2919 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -0.0826 -0.2459 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 1.9984 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 3.4063 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 1.2450 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 3.4124 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 2.1267 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 1.7486 -0.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5331 2.3748 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4793 2.2510 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 1.8561 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 2.4823 -0.0025 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0112 1.9799 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7927 2.6880 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2794 2.3362 -1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7231 0.2902 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 0.6419 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 2.1032 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4340 0.8750 -1.0223 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8532 0.4959 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 4.5891 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 6.7990 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 6.6658 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 5.5669 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 4.7286 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1478 5.8300 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 7.8830 0.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 7.6861 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8592 6.2341 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 6.4315 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 8.7406 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 8.5377 0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7544 7.2853 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 2.0229 -0.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -1.7527 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 4.2968 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 0.6633 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 2.0169 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 3.4601 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 3.3363 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 1.8049 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4215 2.2140 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 0.7708 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 3.5676 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0978 0.8946 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 2.4260 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 3.7714 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 2.2876 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8038 2.7445 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6975 2.7599 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1348 0.6906 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8419 -0.7932 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8183 0.2183 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 0.2337 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3329 0.9114 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9388 -0.5906 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3408 0.8855 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 7.4215 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 5.4637 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 3.9753 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 5.9362 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 5.2577 1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 5.6100 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 9.7191 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0227 9.3582 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 7.1288 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 1.5441 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 2.9917 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 21 22 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > (893) Pyrrolo[2,3-d]pyrimidine 1 > (893) 1190 > (893) 1 > (893) VEGFR-2 (KDR) > (893) 891 > (893) VEGFR2-P891 $$$$ Thienopyrimidine deriv. 28 MXcorina 06100800103D 1 1.00000 0.00000 CORINA evaluation license 3.44 0066 09.01.2008 47 50 0 0 0 0 0 0 0 0999 V2000 0.1587 1.4464 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 -0.5064 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 0.1081 -0.7041 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 0.1377 -0.8873 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0567 2.1072 -0.6765 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 2.1577 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 3.5769 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5568 1.4302 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 3.9088 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 2.5058 -0.2135 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 4.5683 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 6.1602 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 5.2382 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 4.8370 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 5.7600 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 6.4222 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 7.3586 0.0099 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 7.1761 -0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 6.1538 -1.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 8.1269 -0.7455 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 5.3105 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8708 7.8977 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0544 8.4648 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8814 7.1091 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 6.8847 -3.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2437 7.4445 -2.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2375 8.2360 -1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0786 6.0286 -4.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8467 6.1388 -5.1376 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2995 4.6939 -4.1271 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.0999 6.4582 -5.3379 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0481 9.2375 0.1394 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 -1.5733 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 1.6123 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 3.0655 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 6.6793 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 5.0347 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 4.3228 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 5.9687 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 8.1389 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 8.9698 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 5.4912 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 5.4301 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 6.0242 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 6.6713 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1689 7.2671 -3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1574 8.6754 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 8 2 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 M END > (926) Thienopyrimidine deriv. 28 > (926) 45 > (926) 1 > (926) VEGFR-2 (KDR) > (926) 924 > (926) VEGFR2-P924 $$$$