csChFnd70/04170815452D 45 48 0 0 0 0 0 0 0 0999 V2000 5.0411 7.8401 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 6.3302 -0.2145 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 6.3602 -0.4132 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 8.6365 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 7.8196 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 10.2223 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2086 10.0662 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4314 10.7024 -0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1384 8.5559 -0.3975 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8222 10.9476 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9005 12.6088 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0313 13.2181 -2.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 14.7677 -2.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0459 15.7152 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9169 15.1185 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8373 13.5711 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 12.8247 2.0408 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 12.0310 -4.0326 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 5.6283 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 4.0780 -0.0222 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9560 3.3247 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5356 7.6904 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 1.1291 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 1.8701 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 4.0267 0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 1.8338 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 3.2793 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 4.0424 1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0706 3.7008 3.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 8.4258 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 10.8526 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2048 15.2409 -3.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1026 16.9261 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 15.8643 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2803 3.5120 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9674 7.3259 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3764 8.4000 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3028 6.7019 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 0.0000 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 1.3193 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 5.1556 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 1.2519 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1359 5.2627 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6345 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 4.1559 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 19 2 0 0 0 0 2 5 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 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 18 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 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > (471) 470 > (471) C21H16Cl2N4O2 > (471) 427.289 > (471) FGFR-P470 > (471) PD166326 > (471) FGFR-1 Tyrosine Kinase > (471) 61.5 > (471) BINDDB > (471) <2007 > (471) P > (471) TRAIN $$$$ PD0173955 csChFnd70/04170815452D 45 48 0 0 0 0 0 0 0 0999 V2000 3.4754 18.5580 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6268 21.4700 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 19.6709 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 19.2730 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 21.0745 1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 22.1695 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 18.7956 1.6852 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 17.9012 0.3826 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 8.4137 1.3160 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7414 7.2753 2.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 6.7336 5.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 5.0281 5.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 4.4349 4.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 5.5612 2.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4228 7.8574 4.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 16.6267 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 15.5227 2.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 15.8805 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 16.8526 -2.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 14.1249 -1.0775 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8551 13.4003 -2.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 10.2080 1.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 13.0090 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 13.6858 2.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 12.4989 3.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0632 10.7977 3.1732 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5674 11.2769 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 1.3645 6.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 2.2593 3.8864 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 22.3329 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 21.6297 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 23.5774 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 7.9438 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 7.1914 7.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8273 4.1528 6.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 5.1040 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9307 9.1898 4.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 16.0472 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 13.0461 -3.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 14.3915 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 12.2244 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 12.9672 4.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 2.1579 7.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 0.0000 6.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 1.3978 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 2 30 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 9 22 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 17 24 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 27 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END > (474) 473 > (474) C21H16Cl2N4OS > (474) 443.3496 > (474) FGFR-P473 > (474) PD173955 > (474) FGFR-1 Tyrosine Kinase > (474) 1250 > (474) BINDDB > (474) <2007 > (474) P > (474) TRAIN $$$$ PD0180970 csChFnd70/04170815452D 44 47 0 0 0 0 0 0 0 0999 V2000 3.5290 14.6070 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 17.3290 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 15.5238 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 15.5216 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 17.3269 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 18.2280 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 14.3980 -0.6505 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.3933 0.0773 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 12.6705 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 11.8068 1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 11.6631 -1.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 12.4212 -3.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 9.9028 -1.8117 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2065 8.9140 -3.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 4.6474 1.2984 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0109 3.7304 2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 2.1398 3.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 1.2366 4.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 1.9160 5.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 3.5015 5.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 4.4053 4.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 4.2380 6.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 1.0307 7.4216 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 9.9585 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 9.0260 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 9.0118 2.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 6.4536 1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 7.2897 -0.2059 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 7.2881 2.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 18.0401 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 18.0364 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 19.6396 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 12.5264 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 8.6621 -3.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 9.6686 -4.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 7.6755 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 4.0148 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 1.6101 2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 0.0000 4.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 5.6390 3.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9934 3.7748 6.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6452 5.6616 6.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2584 3.8103 8.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 9.6796 4.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 2 30 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 24 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 25 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 M END > (478) 477 > (478) C21H15Cl2FN4O > (478) 429.2801 > (478) FGFR-P477 > (478) PD180970 > (478) FGFR-1 Tyrosine Kinase > (478) 934 > (478) BINDDB > (478) <2007 > (478) P > (478) TRAIN $$$$ Structure138 csChFnd70/04170815452D 81 86 0 0 0 0 0 0 0 0999 V2000 15.9139 12.7432 -1.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1591 10.9185 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7634 9.7858 -2.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0009 8.0848 -2.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6180 7.5004 -3.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0067 8.6159 -3.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7853 10.3223 -2.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1317 13.7265 -1.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3391 13.3181 -1.4113 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7634 7.9679 -3.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9495 9.3212 -3.6910 F 0 0 0 0 0 0 0 0 0 0 0 0 20.2695 6.6571 -2.6454 F 0 0 0 0 0 0 0 0 0 0 0 0 19.7018 7.3237 -5.4536 F 0 0 0 0 0 0 0 0 0 0 0 0 16.8678 5.6403 -3.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1327 15.0040 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6346 15.9061 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4317 17.5761 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7287 18.3396 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2183 17.4381 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4241 15.7749 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5101 20.1535 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9252 18.4892 -0.9453 N 0 0 3 0 0 0 0 0 0 0 0 0 9.5059 17.6379 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 15.9681 -1.8212 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 15.6035 -2.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9455 17.0866 -2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0128 18.3924 -2.1475 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4479 22.9414 -1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 21.2802 -1.5631 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 20.1492 -2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 20.7427 -2.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 22.5090 -2.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9645 23.5562 -2.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 23.1657 -3.2653 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8559 22.0002 -3.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 22.6129 -3.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 22.5299 -5.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5901 4.6907 -2.2726 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5683 2.8263 -2.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4224 1.8925 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5013 2.3120 0.5151 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5232 4.1766 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6690 5.1103 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2236 1.3625 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4583 2.0616 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5007 10.2401 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9225 7.2071 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8705 11.1920 -2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3489 12.5627 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6310 5.0806 -4.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7492 5.5592 -4.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 15.3098 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2242 18.0344 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5904 15.0735 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9046 20.1245 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7668 20.7706 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7006 20.8770 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8736 19.7193 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3358 14.3336 -2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 17.2290 -3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 23.8245 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 19.8580 -3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9809 24.3971 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 20.6320 -3.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 21.6479 -3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 23.8833 -3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 23.7455 -6.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 21.5100 -6.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2410 2.3891 -2.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2720 2.5466 -3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3743 0.5069 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7600 2.3037 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8194 4.4563 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8504 4.6136 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7172 6.4959 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3314 4.6992 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9106 0.0000 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6179 1.5222 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7713 3.4241 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0640 1.9019 3.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9943 1.3569 4.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 48 1 0 0 0 0 9 15 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 38 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 36 66 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 43 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 44 45 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 M END > (599) 607 > (599) C32H36F3N9O > (599) 619.6913 > (599) FGFR-P607 > (599) Compound 25 > (599) FGFR3 > (599) 130 > (599) WO2005123719 > (599) 2005 > (599) P > (599) TRAIN $$$$ Structure94 csChFnd70/04170815452D 66 70 0 0 0 0 0 0 0 0999 V2000 12.2969 9.8066 -0.3060 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3207 7.9991 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7785 7.0901 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8091 5.2885 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 4.4113 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9200 5.3272 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8896 7.1133 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5708 10.7577 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4771 12.6717 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0701 13.4973 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9820 15.2839 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2834 16.2625 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6895 15.4535 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7901 13.6586 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4618 16.1714 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 14.9227 -1.9362 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5959 17.1903 -0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0543 17.2252 -2.6278 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4322 2.4639 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0018 16.4483 1.8605 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 4.3090 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3555 15.3366 2.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8014 16.4762 3.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0806 17.6441 4.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7583 18.7472 3.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2918 17.6306 3.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7969 10.0415 1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 4.4992 1.7162 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 3.6210 1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 2.4702 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1103 2.2356 -0.8827 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6072 3.1267 -1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4892 2.9433 -2.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5229 1.0437 -2.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 3.8219 3.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 2.9308 3.5072 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 1.8597 2.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 1.6261 0.8252 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 0.9589 2.4464 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1547 1.1925 4.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3664 10.3753 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5577 7.7754 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 4.6463 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0896 7.8234 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 12.7376 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2076 17.6606 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 13.0273 1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2481 1.8864 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6803 2.0586 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3975 2.0382 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7994 14.5479 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8860 14.4952 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7722 15.6603 3.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4040 17.2135 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2515 19.5738 4.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 19.5506 2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3158 18.4639 2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7027 16.8786 4.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 1.7446 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6439 0.4998 -2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 0.0000 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0834 4.6885 4.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 0.1713 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 0.8217 5.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7714 2.5482 4.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3817 3.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 27 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 28 2 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 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 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 2 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > (601) 609 > (601) C27H26F3N7O3 > (601) 553.5427 > (601) FGFR-P609 > (601) Example 1 > (601) FGFR3 > (601) <10000 > (601) WO2006002367 > (601) 2006 > (601) P > (601) TRAIN $$$$ Structure103 csChFnd70/04170815452D 68 72 0 0 0 0 0 0 0 0999 V2000 16.8040 13.1918 2.8779 N 0 0 3 0 0 0 0 0 0 0 0 0 15.7323 13.1719 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2672 12.1143 1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2028 12.0995 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6189 13.1497 -1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0800 14.1982 -1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1318 14.2181 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5417 13.3811 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6874 13.2682 4.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4878 13.4636 4.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5489 13.3642 5.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8326 13.0706 7.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0496 12.8757 7.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9734 12.9730 5.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4926 13.5748 5.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9334 15.3360 5.4934 F 0 0 0 0 0 0 0 0 0 0 0 0 25.3403 12.6051 6.6100 F 0 0 0 0 0 0 0 0 0 0 0 0 25.0085 12.9792 3.6741 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 13.1381 -3.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6366 10.9733 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1665 13.6448 1.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8066 9.2698 -0.1467 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4008 8.2313 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7033 8.9403 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4716 10.7165 -0.2734 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8873 11.7636 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7194 13.3412 -0.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 11.4642 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 6.4073 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 5.4390 -0.2259 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5825 6.1560 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 7.8659 -0.3015 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 5.0803 -0.3335 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 3.2359 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 2.0909 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 2.4721 -1.7846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 4.3164 -1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 5.4613 -1.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 1.3275 -1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 1.9679 -3.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2961 13.0746 4.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9516 11.3039 2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4000 15.0094 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2737 15.0412 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0485 13.6919 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6693 12.9928 8.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4989 12.6464 8.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5816 12.8211 6.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3978 14.0491 -2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 13.5271 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 11.8301 -3.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 11.6557 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 12.7141 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 10.5789 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8528 5.8106 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 2.9379 -1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 2.9827 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 0.7218 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 2.3637 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 4.5698 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6644 4.6144 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6694 6.8305 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 5.1886 -3.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 0.0000 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.3495 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 1.9460 -4.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1188 -3.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 3.2956 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 M END > (602) 610 > (602) C28H28F3N7O2 > (602) 551.5701 > (602) FGFR-P610 > (602) Example 10 > (602) FGFR3 > (602) <10000 > (602) WO2006002367 > (602) 2006 > (602) P > (602) TRAIN $$$$ Structure104 csChFnd70/04170815452D 57 61 0 0 0 0 0 0 0 0999 V2000 13.9611 11.4844 -0.3061 N 0 0 3 0 0 0 0 0 0 0 0 0 13.9847 9.6765 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4424 8.7675 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4728 6.9658 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0558 6.0883 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5841 7.0042 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5538 8.7906 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2352 12.4354 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 14.3494 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4595 15.3383 1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3680 17.1239 1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9737 17.9354 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6634 16.9631 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7394 15.1761 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7890 18.1935 1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0716 18.5305 0.6601 F 0 0 0 0 0 0 0 0 0 0 0 0 17.0998 19.7611 2.4966 F 0 0 0 0 0 0 0 0 0 0 0 0 18.5150 17.2820 3.2882 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0959 4.1407 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8318 5.9861 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4616 11.7190 1.1033 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8729 6.1765 1.7161 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3827 5.2984 1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8058 4.1475 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7732 3.9128 -0.8830 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2704 4.8040 -1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1521 4.6210 -2.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 2.7214 -2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3534 5.4992 3.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8986 4.6082 3.5074 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 3.5371 2.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 3.3035 0.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8645 2.6363 2.4465 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8168 2.8700 4.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 2.4993 3.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0564 1.2438 4.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0305 12.0532 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 9.4532 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8075 6.3230 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7540 9.5007 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5479 14.7066 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9076 19.3339 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5786 17.6044 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 14.4185 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 3.5632 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3440 3.7351 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0610 3.7150 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 3.4230 -3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 2.1771 -2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 1.6776 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 6.3658 4.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 1.8486 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 3.9200 4.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3051 4.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 2.0814 2.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 0.0000 4.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 1.2235 6.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 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 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 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 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 M END > (603) 611 > (603) C25H21F3N6O2 > (603) 494.4751 > (603) FGFR-P611 > (603) Example 11 > (603) FGFR3 > (603) <10000 > (603) WO2006002367 > (603) 2006 > (603) P > (603) TRAIN $$$$ Structure105 csChFnd70/04170815452D 70 73 0 0 0 0 0 0 0 0999 V2000 17.1044 16.3238 4.7226 N 0 0 3 0 0 0 0 0 0 0 0 0 16.0758 16.4201 3.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4233 15.4003 2.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4030 15.5014 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 16.6286 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6976 17.6382 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7060 17.5439 1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9991 16.3914 4.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0909 16.1424 6.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0538 16.2116 6.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0638 15.9862 8.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1358 15.6914 9.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1909 15.6213 9.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1638 15.8453 8.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1826 16.0603 7.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7799 17.9161 8.2617 F 0 0 0 0 0 0 0 0 0 0 0 0 25.9081 14.9193 9.4180 F 0 0 0 0 0 0 0 0 0 0 0 0 25.8269 15.4148 6.2428 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9541 16.7423 -2.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6380 14.4166 0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8103 16.6569 3.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6854 12.5694 0.9509 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 11.5659 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 12.4666 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2302 14.3973 0.5838 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8271 15.4090 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7719 17.1207 0.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 15.3444 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 9.5882 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 8.6616 0.5431 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 9.5611 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8017 11.4206 0.3823 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 8.5205 0.1718 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3786 6.4609 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 5.6594 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 3.5943 -0.0995 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 2.8631 1.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 2.7794 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 0.8082 1.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 3.0017 -2.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4537 16.2141 5.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9286 14.5302 4.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1972 18.5089 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9934 18.3371 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7797 16.4406 5.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9332 15.5148 10.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4754 15.3904 11.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6455 15.7909 8.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8562 17.8051 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8983 17.1236 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3138 15.3803 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 15.5604 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 16.7011 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 14.4766 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4621 8.8425 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 9.1529 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 5.9971 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 5.9635 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 6.1232 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 6.1568 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2763 3.6946 2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 2.9532 2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6409 1.2900 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 3.5059 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 0.2301 2.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 0.0000 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.7308 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 4.4800 -3.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 2.1752 -3.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5085 -3.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 40 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 M END > (604) 612 > (604) C28H30F3N7O2 > (604) 553.5859 > (604) FGFR-P612 > (604) Example 12 > (604) FGFR3 > (604) <10000 > (604) WO2006002367 > (604) 2006 > (604) P > (604) TRAIN $$$$ Structure106 csChFnd70/04170815452D 68 72 0 0 0 0 0 0 0 0999 V2000 15.2380 16.7642 2.9740 N 0 0 3 0 0 0 0 0 0 0 0 0 14.1305 16.7436 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6164 15.6505 1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5166 15.6354 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9466 16.7207 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4564 17.8041 -1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5434 17.8247 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0338 16.9598 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2178 16.8432 4.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0782 17.0451 4.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1748 16.9423 5.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4346 16.6389 7.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5920 16.4375 7.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4799 16.5380 6.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1834 17.1600 5.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6389 18.9799 5.6769 F 0 0 0 0 0 0 0 0 0 0 0 0 24.0594 16.1578 6.8308 F 0 0 0 0 0 0 0 0 0 0 0 0 23.7165 16.5445 3.7967 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 16.7087 -3.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8981 14.4715 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6795 17.2323 1.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0738 12.7112 -0.1516 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 11.6380 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8669 12.3706 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 14.2061 -0.2825 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0904 15.2882 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 16.9186 -0.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 14.9788 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 9.7530 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 8.7525 -0.2335 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 9.4934 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4654 11.2604 -0.3116 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 8.3818 -0.3446 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4479 6.4216 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 5.5123 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 3.5470 -0.3745 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 2.6282 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 1.3377 -1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 1.0333 -2.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 2.9080 -2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7133 16.6431 4.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 14.8132 2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7871 18.6424 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7235 18.6753 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6576 17.2810 2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2992 16.5585 8.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0230 16.2005 8.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0417 16.3811 6.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 17.6500 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5510 17.1107 -4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 15.3569 -3.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3127 15.1767 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 16.2705 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 14.0638 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 9.1364 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 8.8985 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 6.0113 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 6.0213 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 5.9228 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 5.9128 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 1.8652 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 3.6159 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 0.0719 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9669 -2.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4547 0.0000 -1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7827 0.6902 -3.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 3.8218 -3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 2.7872 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 M END > (605) 613 > (605) C28H28F3N7O2 > (605) 551.5701 > (605) FGFR-P613 > (605) Example 13 > (605) FGFR3 > (605) <10000 > (605) WO2006002367 > (605) 2006 > (605) P > (605) TRAIN $$$$ Structure107 csChFnd70/04170815452D 62 66 0 0 0 0 0 0 0 0999 V2000 17.0630 13.7899 3.1884 N 0 0 3 0 0 0 0 0 0 0 0 0 15.8756 13.7678 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2524 12.5961 1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0733 12.5797 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5343 13.7433 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1529 14.9048 -1.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3183 14.9269 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 13.9996 2.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2574 13.8746 4.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2519 14.0910 4.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4276 13.9808 6.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6339 13.6556 7.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6586 13.4397 8.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4663 13.5474 6.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5810 14.2142 5.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0693 16.1653 6.0860 F 0 0 0 0 0 0 0 0 0 0 0 0 26.5200 13.1398 7.3230 F 0 0 0 0 0 0 0 0 0 0 0 0 26.1524 13.5543 4.0704 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 13.7304 -3.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3382 11.3321 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6802 14.2918 1.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5264 9.4449 -0.1625 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9690 8.2943 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 9.0797 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 11.0476 -0.3029 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4001 12.2075 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 13.9554 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8861 11.8758 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1658 6.2735 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 5.2008 -0.2503 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8467 5.9952 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 7.8895 -0.3341 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 4.8033 -0.3695 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4951 2.7020 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 1.7420 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.2825 -2.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 0.4021 -2.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0000 -0.5389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 0.4161 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 1.2895 1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5003 13.6601 4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9029 11.6983 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5075 15.8035 -2.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5833 15.8388 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8731 14.3439 3.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5609 13.5694 9.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0485 13.1856 9.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9245 13.3792 6.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 14.7395 -3.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1101 14.1614 -4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 12.2812 -3.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3501 12.0880 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 13.2606 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 10.8951 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5775 5.6124 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 5.3574 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3392 2.2621 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 2.2727 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 1.6092 -3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 0.0397 -3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0653 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1899 1.6261 2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 2 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 61 1 0 0 0 0 40 62 1 0 0 0 0 M END > (606) 614 > (606) C28H22F3N7O2 > (606) 545.5227 > (606) FGFR-P614 > (606) Example 14 > (606) FGFR3 > (606) <10000 > (606) WO2006002367 > (606) 2006 > (606) P > (606) TRAIN $$$$ Structure108 csChFnd70/04170815452D 62 65 0 0 0 0 0 0 0 0999 V2000 15.6434 13.2401 3.1564 N 0 0 3 0 0 0 0 0 0 0 0 0 14.4679 13.2182 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 12.0583 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6937 12.0421 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1501 13.1939 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7524 14.3438 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9061 14.3657 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5491 13.4477 2.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8058 13.3239 4.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7803 13.5382 4.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9442 13.4291 6.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1585 13.1071 7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2029 12.8935 8.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0226 13.0001 6.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0760 13.6602 5.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5594 15.5917 6.0250 F 0 0 0 0 0 0 0 0 0 0 0 0 25.0055 12.5966 7.2497 F 0 0 0 0 0 0 0 0 0 0 0 0 24.6416 13.0070 4.0296 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8932 13.1812 -3.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9760 10.8069 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2344 13.7370 1.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1623 8.9386 -0.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6205 7.7996 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 8.5772 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 10.5252 -0.2998 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0573 11.6737 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 13.4040 -0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 11.3452 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 5.7991 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2578 4.7371 -0.2478 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 5.5236 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 7.3988 -0.3307 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 4.3437 -0.3658 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 2.2633 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2019 1.5477 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 5.1721 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 5.4519 -2.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0863 13.1116 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5150 11.1695 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1034 15.2336 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1584 15.2684 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3953 13.7886 3.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0760 13.0218 9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5990 12.6419 9.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4961 12.8335 6.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 14.1802 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7301 13.6078 -4.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3268 11.7466 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 11.5553 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 12.7162 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 10.3742 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2130 5.1446 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 1.5957 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 1.8927 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 0.0000 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 2.2153 2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 1.9183 2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 4.2118 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 6.5495 0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 6.4121 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 4.0747 -3.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0683 -2.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 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 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 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 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 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 53 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 M END > (607) 615 > (607) C26H25F3N6O2 > (607) 510.5177 > (607) FGFR-P615 > (607) Example 15 > (607) FGFR3 > (607) <10000 > (607) WO2006002367 > (607) 2006 > (607) P > (607) TRAIN $$$$ Structure109 csChFnd70/04170815452D 67 71 0 0 0 0 0 0 0 0999 V2000 14.7473 12.3857 2.8634 N 0 0 3 0 0 0 0 0 0 0 0 0 13.6810 12.3658 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 11.3135 1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1642 11.2989 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 12.3438 -1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0319 13.3869 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0785 13.4068 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4762 12.5740 2.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6162 12.4617 4.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4074 12.6561 4.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4632 12.5572 5.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7505 12.2651 7.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9765 12.0712 7.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9057 12.1679 5.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3972 12.7668 5.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8356 14.5190 5.4658 F 0 0 0 0 0 0 0 0 0 0 0 0 23.2405 11.8019 6.5766 F 0 0 0 0 0 0 0 0 0 0 0 0 22.9103 12.1741 3.6556 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 12.3323 -3.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6059 10.1783 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0978 12.8364 1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 8.4834 -0.1459 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 7.4503 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 8.1555 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4569 9.9228 -0.2720 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8654 10.9646 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 12.5343 -0.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 10.6667 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5531 5.6354 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 4.6721 -0.2248 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5724 5.3855 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 7.0867 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1372 4.3151 -0.3318 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3586 2.4279 -0.3158 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7240 1.5763 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 2.0499 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 1.4041 -2.5637 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1052 2.2558 -3.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 1.7821 -2.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 1.8465 -3.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2419 12.2691 4.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9093 10.5073 2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3503 14.1941 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2146 14.2257 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9653 12.8833 2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5830 12.1876 8.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4286 11.8430 8.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5210 12.0168 6.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 13.2385 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1973 12.7193 -4.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9242 11.0308 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 10.8572 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 11.9103 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 9.7858 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8210 5.0417 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 4.8127 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4695 2.0904 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 0.1721 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 2.0363 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4433 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 3.4541 -0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 0.0000 -2.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 1.7957 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 3.6598 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 2.3887 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 0.3780 -2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 1.4761 -4.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 M END > (608) 616 > (608) C28H27F3N6O3 > (608) 552.5549 > (608) FGFR-P616 > (608) Example 16 > (608) FGFR3 > (608) <10000 > (608) WO2006002367 > (608) 2006 > (608) P > (608) TRAIN $$$$ Structure110 csChFnd70/04170815452D 63 68 0 0 0 0 0 0 0 0999 V2000 12.4461 15.8958 4.9435 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7421 15.8476 3.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 14.8661 2.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 14.8227 1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3613 15.7676 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8105 16.7401 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4977 16.7892 1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1662 15.9931 5.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9176 15.9189 6.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6989 16.0194 7.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3913 15.9567 8.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3247 15.7947 10.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5586 15.6945 9.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8493 15.7556 8.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3137 16.0643 8.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 17.7889 9.1836 F 0 0 0 0 0 0 0 0 0 0 0 0 19.7858 15.1452 10.4735 F 0 0 0 0 0 0 0 0 0 0 0 0 20.1399 15.3587 7.5611 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 15.7251 -1.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0353 13.7778 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0994 16.1418 3.9052 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 12.0940 1.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7009 11.1288 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1296 11.8952 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 13.6529 0.1156 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4177 14.6269 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3506 16.1864 0.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 14.4597 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7632 9.3261 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 8.4305 0.6129 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 9.1999 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 10.8926 -0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 8.1987 -0.1801 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5735 6.4039 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 5.4674 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 3.6952 0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 2.8488 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 3.7852 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 5.5596 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 1.1417 0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 0.9964 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4885 2.6653 -0.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6961 15.8645 5.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6943 14.1374 3.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4067 17.4695 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 17.5525 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5327 16.1453 6.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8735 15.7457 11.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7334 15.5682 11.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4703 15.6777 8.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5872 16.6779 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 16.0191 -2.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0923 14.4478 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 14.7576 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 15.6432 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 13.5784 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 8.6873 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 8.7394 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1241 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 2.9692 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 6.2875 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5556 0.0000 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 0.7269 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 42 1 0 0 0 0 39 61 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 M END > (609) 617 > (609) C29H21F3N6O4 > (609) 574.5179 > (609) FGFR-P617 > (609) Example 17 > (609) FGFR3 > (609) <10000 > (609) WO2006002367 > (609) 2006 > (609) P > (609) TRAIN $$$$ Structure111 csChFnd70/04170815452D 74 79 0 0 0 0 0 0 0 0999 V2000 21.3072 16.7382 3.1942 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1178 16.7161 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4915 15.5422 1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3103 15.5258 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7721 16.6915 -1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3937 17.8551 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5612 17.8772 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2358 16.9483 2.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5075 16.8230 4.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5057 17.0399 4.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6834 16.9295 6.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8883 16.6037 7.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9095 16.3873 8.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7150 16.4953 6.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8408 17.1633 5.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3300 19.1179 6.0971 F 0 0 0 0 0 0 0 0 0 0 0 0 30.7815 16.0870 7.3364 F 0 0 0 0 0 0 0 0 0 0 0 0 30.4133 16.5022 4.0778 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5004 16.6786 -3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5720 14.2758 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9293 17.2410 1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7607 12.3852 -0.1628 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2003 11.2326 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3163 12.0194 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0592 13.9908 -0.3034 N 0 0 3 0 0 0 0 0 0 0 0 0 13.6304 15.1529 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4442 16.9040 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1101 14.8206 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3975 9.2081 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8214 8.1335 -0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0725 8.9293 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8111 10.8270 -0.3347 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 7.7353 -0.3701 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0462 5.6882 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 4.4174 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 4.8405 -1.9808 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 6.8873 -2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2611 8.1582 -2.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4037 3.6326 -2.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 2.2609 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 1.0656 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 1.2300 -2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 2.5991 -3.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 3.8068 -3.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 2.7639 -5.0772 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7435 16.6081 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1414 14.6428 2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7489 18.7554 -2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8285 18.7907 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1279 17.2932 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8169 16.5173 9.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2982 16.1328 9.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1703 16.3267 6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3069 17.6895 -3.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3472 17.1104 -4.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9271 15.2267 -3.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5731 15.0331 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1574 16.2079 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 13.8380 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8119 8.5458 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 5.3574 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9258 5.4071 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 2.8979 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4193 4.7201 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 7.1687 -3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 7.2182 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 9.6777 -2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 7.8555 -3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 2.1286 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 0.0000 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 0.2934 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 4.8721 -4.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9226 -5.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 3.7196 -6.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 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 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 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 69 1 0 0 0 0 41 42 2 0 0 0 0 41 70 1 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 44 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 M END > (610) 618 > (610) C32H29F3N8O2 > (610) 614.6287 > (610) FGFR-P618 > (610) Example 18 > (610) FGFR3 > (610) <10000 > (610) WO2006002367 > (610) 2006 > (610) P > (610) TRAIN $$$$ Structure112 csChFnd70/04170815452D 68 72 0 0 0 0 0 0 0 0999 V2000 15.1358 15.8934 5.0185 N 0 0 3 0 0 0 0 0 0 0 0 0 14.4233 15.8394 3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9533 14.8357 3.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2479 14.7861 1.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0263 15.7473 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4889 16.7425 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1841 16.7977 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8787 16.0027 5.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6402 15.9332 7.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4452 16.0461 7.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1468 15.9879 8.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0660 15.8176 10.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2765 15.7047 10.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5576 15.7624 8.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0948 16.1095 9.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5766 17.8610 9.3188 F 0 0 0 0 0 0 0 0 0 0 0 0 22.5786 15.1815 10.6281 F 0 0 0 0 0 0 0 0 0 0 0 0 22.9375 15.3987 7.6755 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2692 15.6978 -1.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 13.7173 0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8245 16.1582 3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7516 12.0110 1.1242 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3422 11.0241 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 11.7911 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 13.5720 0.1206 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0350 14.5680 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 16.1484 0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9666 14.3798 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 9.1971 0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 8.2809 0.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 9.0517 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 10.7666 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0692 8.0278 -0.1750 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1866 6.2116 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 5.3641 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 3.5690 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 2.6111 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 3.4508 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 5.2539 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.4813 1.2987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 0.5784 1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8558 3.3676 1.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3753 15.8576 6.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3569 14.0943 4.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0891 17.4850 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 17.5790 2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2902 16.1781 6.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6220 15.7723 11.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4403 15.5714 11.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1604 15.6735 8.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 16.6571 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2872 16.0009 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7496 14.3994 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1936 14.6788 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 15.5803 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2444 13.4811 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6109 8.5569 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 8.5692 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8193 6.1090 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0287 2.9133 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 1.2083 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 5.9096 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 0.2275 2.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 0.0000 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 0.0916 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4662 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 2.6237 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 4.6720 2.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 62 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 M END > (611) 619 > (611) C30H26F3N7O2 > (611) 573.5763 > (611) FGFR-P619 > (611) Example 19 > (611) FGFR3 > (611) <10000 > (611) WO2006002367 > (611) 2006 > (611) P > (611) TRAIN $$$$ Structure95 csChFnd70/04170815452D 63 67 0 0 0 0 0 0 0 0999 V2000 11.0648 16.9966 2.5853 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0467 16.8934 1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7229 15.6753 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7113 15.5781 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 16.7075 -1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 17.9150 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3569 18.0167 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7669 17.3937 2.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8714 17.3751 4.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6349 17.7859 3.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6568 17.7733 5.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9377 17.3547 6.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1913 16.9466 7.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1544 16.9542 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5608 18.2156 5.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7838 20.0057 5.4901 F 0 0 0 0 0 0 0 0 0 0 0 0 19.4789 17.3207 6.5513 F 0 0 0 0 0 0 0 0 0 0 0 0 19.1873 17.7309 3.6246 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 16.6078 -3.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2961 14.2808 -0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3935 17.7672 1.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6657 12.6144 -0.6798 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 11.4228 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 11.9266 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 13.6578 -0.8700 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4730 14.8590 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 16.4012 -0.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 14.1932 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7901 9.6378 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 8.5141 -0.9369 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 9.0400 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 10.7052 -1.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 7.8062 -1.1453 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9674 6.0404 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 5.4954 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 3.7497 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 2.5449 -0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 3.0828 -1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 4.8258 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 0.6410 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5449 16.7875 3.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 14.8044 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 18.7874 -2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3888 18.9645 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1979 18.1123 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7438 17.3462 8.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6381 16.6211 8.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7912 16.6353 5.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 17.3779 -3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6879 17.1147 -4.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5967 15.2583 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 14.2874 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 15.4550 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 13.2355 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1206 9.1956 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 8.1654 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0229 6.4359 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 3.3254 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 2.1383 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2451 -2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 0.0507 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 0.0000 -1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 0.4953 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 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 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 36 37 2 0 0 0 0 36 58 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 M END > (612) 620 > (612) C29H23F3N6O2 > (612) 544.5349 > (612) FGFR-P620 > (612) Example 2 > (612) FGFR3 > (612) <10000 > (612) WO2006002367 > (612) 2006 > (612) P > (612) TRAIN $$$$ Structure113 csChFnd70/04170815452D 79 84 0 0 0 0 0 0 0 0999 V2000 11.1084 22.4834 2.5955 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0862 22.3798 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 21.1569 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 21.0592 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 22.1932 -1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 23.4054 -1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 23.5075 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8170 22.8821 2.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9259 22.8634 4.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6964 23.2758 3.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7223 23.2631 5.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0005 22.8429 7.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2471 22.4332 7.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2062 22.4408 5.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6338 23.7071 5.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8577 25.5043 5.5117 F 0 0 0 0 0 0 0 0 0 0 0 0 19.5555 22.8088 6.5770 F 0 0 0 0 0 0 0 0 0 0 0 0 19.2628 23.2206 3.6388 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 22.0931 -3.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 19.7570 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4461 23.2570 1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 18.0840 -0.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 16.8876 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 17.3934 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 19.1315 -0.8734 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4906 20.3374 -0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 21.8856 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 19.6690 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8129 15.0956 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 13.9675 -0.9406 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 14.4955 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 16.1673 -1.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 13.2568 -1.1497 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9751 11.4840 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 10.9370 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 9.1844 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 7.9748 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 8.5149 -1.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 10.2647 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 6.0635 -0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 5.2316 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 3.3687 0.9511 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 2.5937 2.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.6401 2.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 0.4027 2.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 1.1409 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 3.0995 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5864 22.2734 3.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 20.2826 2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 24.2812 -2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4335 24.4590 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2615 23.6034 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8096 22.8344 8.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6917 22.1064 8.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 22.1206 5.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 22.8663 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 22.6020 -4.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 20.7383 -3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 19.7635 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 20.9357 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 18.7075 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 14.6518 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 13.6174 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 11.8811 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 8.7583 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 7.5667 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.6857 -2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 5.4200 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 5.9173 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 5.8753 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 5.3779 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 3.2221 3.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 2.7789 2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 0.0745 3.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 0.0000 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2783 0.9375 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3447 0.5153 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 3.6538 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 3.7359 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 40 41 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 42 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 45 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 47 78 1 0 0 0 0 47 79 1 0 0 0 0 M END > (613) 621 > (613) C34H32F3N7O3 > (613) 643.6671 > (613) FGFR-P621 > (613) Example 20 > (613) FGFR3 > (613) <10000 > (613) WO2006002367 > (613) 2006 > (613) P > (613) TRAIN $$$$ Structure114 csChFnd70/04170815452D 81 85 0 0 0 0 0 0 0 0999 V2000 11.2757 23.4498 1.7914 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2501 23.2316 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9095 22.0260 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8905 21.8139 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 22.8165 -2.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5642 24.0126 -2.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5701 24.2284 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 23.8101 1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0968 23.8976 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8664 24.2706 3.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8965 24.3576 4.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1798 24.0763 6.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4275 23.7056 6.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3823 23.6152 4.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8070 24.7594 4.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0583 26.5591 4.4189 F 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 23.9539 5.6847 F 0 0 0 0 0 0 0 0 0 0 0 0 19.4173 24.1380 2.7351 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 22.5923 -4.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 20.5291 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6081 24.0630 0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8059 18.8602 -1.0922 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 17.6797 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 18.1983 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 19.9325 -1.3248 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6399 21.1230 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 22.6675 -1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 20.4830 -1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 15.8921 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 14.7798 -1.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9486 15.3193 -1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 16.9877 -1.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 14.0972 -1.1277 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0239 12.3352 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 11.8500 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7643 10.1118 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 8.8506 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4467 9.3341 -1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 11.0714 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1807 7.1392 -0.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 5.9107 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 4.0667 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 3.6668 1.1339 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 1.8247 1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 4.7992 2.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 4.6663 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 1.3347 3.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7567 23.3469 2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 21.2536 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8225 24.7867 -3.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6149 25.1669 -1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 24.4899 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 24.1460 7.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8764 23.4864 7.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0143 23.3262 4.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9629 23.3903 -4.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 22.9937 -5.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 21.2305 -4.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 20.6852 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 21.6932 -2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 19.4802 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 15.4391 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 14.4599 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 12.8318 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 9.7343 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 8.3514 -2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.4477 -2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 6.0553 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 6.1427 -2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 3.1413 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 3.9751 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 1.0235 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 1.6082 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 6.1402 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 4.3928 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 5.5774 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 3.3468 2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 4.9802 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 2.2080 4.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 1.4468 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 0.0000 3.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 47 1 0 0 0 0 44 72 1 0 0 0 0 44 73 1 0 0 0 0 45 46 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 79 1 0 0 0 0 47 80 1 0 0 0 0 47 81 1 0 0 0 0 M END > (614) 622 > (614) C34H34F3N7O3 > (614) 645.6829 > (614) FGFR-P622 > (614) Example 21 > (614) FGFR3 > (614) <10000 > (614) WO2006002367 > (614) 2006 > (614) P > (614) TRAIN $$$$ Structure115 csChFnd70/04170815452D 63 67 0 0 0 0 0 0 0 0999 V2000 12.2196 9.7468 -0.3041 N 0 0 3 0 0 0 0 0 0 0 0 0 12.2432 7.9504 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7107 7.0472 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 5.2568 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3141 4.3849 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8325 5.2951 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8025 7.0703 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4857 10.6918 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3926 12.5939 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9945 13.4147 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9076 15.1901 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2016 16.1618 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5977 15.3574 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6976 13.5748 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 16.0731 -1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 14.8330 -1.9247 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5372 17.0857 -0.0495 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 17.1205 -2.6107 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 2.4496 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 4.2832 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7043 9.9801 1.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1576 4.4723 1.7054 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6769 3.5997 1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 2.4556 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0654 2.2223 -0.8769 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5528 3.1084 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4291 2.9262 -2.3502 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 3.7993 3.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2088 2.9133 3.4855 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 1.8484 2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 1.6162 0.8205 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.9527 2.4320 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1472 1.1850 3.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9069 16.3494 1.8533 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3531 15.7385 2.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2555 17.1228 3.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3903 18.5430 2.7212 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9854 18.0968 1.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9456 17.0834 4.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 1.0373 -2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 10.3120 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4974 7.7284 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0483 4.6182 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 7.7758 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 12.6599 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 17.5511 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7819 12.9473 1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1709 1.8757 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5941 2.0467 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3256 2.0266 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0444 4.6609 4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 0.1697 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.5321 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3788 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 0.8169 5.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7016 14.4034 2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0387 18.9705 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0048 17.0891 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0409 18.2127 4.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0134 15.9199 4.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 1.7335 -3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 0.4971 -2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7336 0.0000 -1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 2 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 M END > (615) 623 > (615) C27H23F3N8O2 > (615) 548.5263 > (615) FGFR-P623 > (615) Example 22 > (615) FGFR3 > (615) <10000 > (615) WO2006002367 > (615) 2006 > (615) P > (615) TRAIN $$$$ Structure116 csChFnd70/04170815452D 66 70 0 0 0 0 0 0 0 0999 V2000 13.0370 9.0913 -0.2556 N 0 0 3 0 0 0 0 0 0 0 0 0 12.8668 7.2768 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2349 6.5412 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0721 4.7319 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5534 3.6724 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1721 4.4165 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3326 6.2102 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4734 9.9011 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5929 11.8263 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0824 12.6683 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1929 14.4638 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8237 15.4424 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3392 14.6081 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2205 12.8125 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7975 15.3725 1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0418 14.1231 2.1013 F 0 0 0 0 0 0 0 0 0 0 0 0 18.4983 16.4550 0.3129 F 0 0 0 0 0 0 0 0 0 0 0 0 17.3420 16.3830 3.0678 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 1.7158 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 3.9369 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6710 9.0445 0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5037 4.2394 2.1432 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 3.5291 2.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 2.4381 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9504 2.0898 -0.3643 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5337 2.8124 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 2.5257 -2.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 3.8506 4.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 3.1230 4.2617 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 2.1033 3.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 1.7609 1.5452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 1.3746 3.3693 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2520 1.7308 5.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9393 17.2571 0.1668 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 18.0643 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 20.0542 1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7179 20.6581 -0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9883 19.8991 -1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7759 17.9077 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 0.9594 -1.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 9.7663 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 7.3673 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3166 3.5947 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6028 6.7854 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1446 11.9100 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2794 15.3709 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0682 12.1659 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0382 1.1556 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6263 1.1684 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3676 1.4082 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 4.6768 5.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 0.6269 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 1.2752 6.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 3.1336 5.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0486 5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3132 17.7235 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 17.5897 2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8151 20.6624 2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 20.3990 1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7939 20.3953 -2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2978 20.2396 -1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7890 17.3187 -2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4916 17.5644 -2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 1.7521 -2.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 0.2849 -2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 0.0000 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > (616) 624 > (616) C27H26F3N7O3 > (616) 553.5427 > (616) FGFR-P624 > (616) Example 23 > (616) FGFR3 > (616) <10000 > (616) WO2006002367 > (616) 2006 > (616) P > (616) TRAIN $$$$ Structure117 csChFnd70/04170815452D 73 77 0 0 0 0 0 0 0 0999 V2000 8.4866 9.8196 -0.2778 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5872 8.0136 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 7.1048 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 5.3046 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 4.4287 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0431 5.3445 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 7.1291 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9481 10.7769 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8402 12.6900 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3516 13.6856 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2418 15.4702 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6381 16.2742 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 15.2955 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2271 13.5092 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8716 16.5469 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3184 15.4535 -0.3325 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8926 17.5897 -1.8069 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9171 17.5972 1.1544 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 2.4829 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1162 4.3251 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 10.0671 -0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 4.5249 3.5485 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 3.6471 4.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 2.4863 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 2.2414 1.8615 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9402 3.1323 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 2.9404 -0.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 3.8582 6.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 2.9668 7.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 1.8863 6.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 1.6428 4.5684 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 0.9857 7.2052 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0363 1.2302 9.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5282 18.2245 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 18.8724 -2.0697 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3891 20.7315 -2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7749 21.3772 -4.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7376 20.3826 -5.2687 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 18.5234 -5.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7517 17.8778 -3.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9984 21.0305 -7.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 1.0396 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3653 10.3829 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 7.7892 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0963 4.6646 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9064 7.8393 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6038 13.0597 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8882 15.9308 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 12.7465 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 1.8958 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2716 2.0826 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 2.0629 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4891 4.7325 6.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 0.1913 6.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 0.8685 9.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 2.5860 9.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4179 9.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 18.6252 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5277 18.7538 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0229 20.9386 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1849 21.4420 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4437 22.7474 -4.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1483 21.2026 -4.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 17.8129 -6.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5037 18.3165 -5.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0829 16.5076 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 18.0523 -3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3628 20.9131 -7.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 20.2716 -7.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 22.3874 -7.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 1.7333 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 0.4917 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.0000 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 M END > (617) 625 > (617) C29H31F3N8O2 > (617) 580.6115 > (617) FGFR-P625 > (617) Example 24 > (617) FGFR3 > (617) <10000 > (617) WO2006002367 > (617) 2006 > (617) P > (617) TRAIN $$$$ Structure118 csChFnd70/04170815452D 69 73 0 0 0 0 0 0 0 0999 V2000 16.8840 11.0457 2.9890 N 0 0 3 0 0 0 0 0 0 0 0 0 15.7709 11.0250 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2492 9.9266 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1437 9.9113 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5759 11.0020 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0934 12.0909 -1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1859 12.1116 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6887 11.2423 2.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8787 11.1251 4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7485 11.3280 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8507 11.2247 5.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1066 10.9198 7.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2548 10.7174 7.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1371 10.8184 6.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8695 11.4435 5.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3273 13.2726 5.7056 F 0 0 0 0 0 0 0 0 0 0 0 0 25.7499 10.4363 6.8652 F 0 0 0 0 0 0 0 0 0 0 0 0 25.4053 10.8249 3.8159 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3858 10.9900 -3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5171 8.7416 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3376 11.5162 1.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 6.9723 -0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2335 5.8938 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 6.6301 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 8.4748 -0.2839 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7002 9.5623 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5259 11.2009 -0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 3.9992 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 2.9936 -0.2346 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 3.7383 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 5.5143 -0.3132 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 2.6210 -0.3463 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0395 0.6510 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 9.2513 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 9.5305 1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 10.3090 1.5049 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 10.2997 3.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1571 11.1939 3.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 10.2649 1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 10.2485 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 9.3448 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3565 10.9240 4.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9215 9.0849 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 12.9334 -2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3718 12.9665 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3309 11.5651 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9757 10.8390 8.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6829 10.4792 8.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6916 10.6607 6.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 11.9360 -3.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1782 11.3940 -4.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8493 9.6314 -3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7415 3.3795 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 3.1404 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 0.0000 -0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 0.2386 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 0.2486 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 10.5495 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 8.3319 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6564 8.2322 2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5996 10.4500 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 8.9077 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 11.0503 4.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 11.1209 4.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 12.6067 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.4919 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 11.6340 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 9.3984 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 7.9376 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 M END > (618) 626 > (618) C28H28F3N7O3 > (618) 567.5695 > (618) FGFR-P626 > (618) Example 25 > (618) FGFR3 > (618) <10000 > (618) WO2006002367 > (618) 2006 > (618) P > (618) TRAIN $$$$ Structure119 csChFnd70/04170815452D 50 53 0 0 0 0 0 0 0 0999 V2000 10.7886 9.8050 -0.3061 N 0 0 3 0 0 0 0 0 0 0 0 0 10.8120 7.9974 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 7.0886 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 5.2872 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8832 4.4099 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4112 5.3256 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3809 7.1117 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 10.7559 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9690 12.6696 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2864 13.6583 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1949 15.4436 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 16.2549 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4909 15.2828 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5669 13.4961 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6157 16.5131 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8981 16.8500 0.6600 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9266 18.0803 2.4962 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 15.6016 3.2876 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9232 2.4626 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 4.3077 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 10.0396 1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 4.4981 1.7159 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 3.6201 1.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 2.4694 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 2.2347 -0.8829 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0984 3.1258 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9798 2.9428 -2.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 3.8209 3.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7274 2.9300 3.5068 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 1.8591 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 1.6255 0.8248 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 0.9585 2.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 1.0435 -2.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8581 10.3737 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 7.7742 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6344 4.6446 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5809 7.8216 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3747 13.0268 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7348 17.6532 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4063 15.9241 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5436 12.7387 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7388 1.8852 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1711 2.0571 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8886 2.0370 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 4.6873 4.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1131 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 0.1710 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 1.7450 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 0.4994 -2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 0.0000 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 M END > (619) 627 > (619) C22H17F3N6O2 > (619) 454.4105 > (619) FGFR-P627 > (619) Example 26 > (619) FGFR3 > (619) <10000 > (619) WO2006002367 > (619) 2006 > (619) P > (619) TRAIN $$$$ Structure120 csChFnd70/04170815452D 70 74 0 0 0 0 0 0 0 0999 V2000 18.8946 17.8212 3.1283 N 0 0 3 0 0 0 0 0 0 0 0 0 17.7295 17.7995 1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1370 16.6499 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9801 16.6339 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4324 17.7755 -1.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0205 18.9151 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1639 18.9368 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7833 18.0271 2.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0287 17.9043 4.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9857 18.1167 4.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1391 18.0085 5.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3605 17.6894 7.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4223 17.4776 7.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2526 17.5833 6.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2519 18.2376 5.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7309 20.1519 5.9712 F 0 0 0 0 0 0 0 0 0 0 0 0 28.1732 17.1834 7.1849 F 0 0 0 0 0 0 0 0 0 0 0 0 27.8126 17.5901 3.9936 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1869 17.7628 -3.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2777 15.4098 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4624 18.3137 1.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 13.5582 -0.1594 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9343 12.4293 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0893 13.1999 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 15.1306 -0.2971 N 0 0 3 0 0 0 0 0 0 0 0 0 11.3762 16.2688 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1938 17.9836 -0.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1275 10.4466 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5839 9.3942 -0.2456 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8711 10.1736 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6151 12.0321 -0.3278 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 9.0043 -0.3625 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9285 15.9433 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 6.9424 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 5.9861 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8529 3.8329 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 2.9172 -0.4566 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0839 2.4360 -2.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 1.5348 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 2.0786 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 2.3994 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 2.6881 -3.6487 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3424 17.6938 4.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7941 15.7691 2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3683 19.7969 -2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4051 19.8315 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5951 18.3648 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2699 17.6048 8.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8238 17.2283 9.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7398 17.4182 6.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0181 18.7530 -3.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0163 18.1858 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6255 16.3410 -3.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5127 9.7981 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0416 9.5478 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 16.1514 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9749 17.3019 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9878 14.9810 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3731 6.5108 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 6.5213 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 6.4177 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 6.4072 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 3.4013 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 3.4118 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 2.1118 -2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 0.0000 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3721 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.9213 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 1.1041 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 3.5535 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 42 2 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 M END > (620) 628 > (620) C29H28F3N7O3 > (620) 579.5805 > (620) FGFR-P628 > (620) Example 27 > (620) FGFR3 > (620) <10000 > (620) WO2006002367 > (620) 2006 > (620) P > (620) TRAIN $$$$ Structure121 csChFnd70/04170815452D 59 63 0 0 0 0 0 0 0 0999 V2000 12.0138 9.6423 -1.0700 N 0 0 3 0 0 0 0 0 0 0 0 0 12.0161 7.9486 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5831 7.1677 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 5.4792 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0432 4.5858 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4630 5.3739 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4531 7.0472 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3476 10.5511 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3014 12.3572 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6808 13.3021 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6317 14.9862 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2192 15.7392 -1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 14.8100 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8806 13.1245 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1194 16.0083 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1167 16.1655 -1.6724 F 0 0 0 0 0 0 0 0 0 0 0 0 15.6152 17.5673 0.2432 F 0 0 0 0 0 0 0 0 0 0 0 0 17.0072 15.2409 0.9775 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0593 2.7605 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 4.6367 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 9.8856 -0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 4.9759 1.9773 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 4.2234 2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 3.0479 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 2.6593 -0.0462 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2805 3.4234 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8801 3.1029 -1.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 4.5837 4.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 3.8122 4.4438 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 2.7131 3.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 2.3315 2.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 1.9415 3.9775 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0874 1.4413 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 2.4210 5.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 4.0580 5.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 4.4731 7.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 3.2592 8.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.7195 7.8139 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 1.2730 6.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0541 10.1621 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 7.8652 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5848 4.6806 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5681 7.6574 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7837 12.7159 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1872 17.0583 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 15.4053 -2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8093 12.4004 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6587 2.1117 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3019 2.3737 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2288 2.4760 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 5.4746 4.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 1.0672 3.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 2.0551 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0073 0.8248 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 0.5378 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 4.9811 5.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 5.7304 7.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5763 9.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 0.0000 6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 39 2 0 0 0 0 39 59 1 0 0 0 0 M END > (621) 629 > (621) C27H20F3N7O2 > (621) 531.4959 > (621) FGFR-P629 > (621) Example 28 > (621) FGFR3 > (621) <10000 > (621) WO2006002367 > (621) 2006 > (621) P > (621) TRAIN $$$$ Structure122 csChFnd70/04170815452D 59 63 0 0 0 0 0 0 0 0999 V2000 16.0842 10.9875 -0.3061 N 0 0 3 0 0 0 0 0 0 0 0 0 16.1075 9.1795 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5647 8.2710 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5947 6.4690 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1777 5.5911 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7062 6.5067 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 8.2933 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3587 11.9381 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2656 13.8522 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5835 14.8408 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4924 16.6265 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 17.4385 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7880 16.4665 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8635 14.6792 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9138 17.6957 1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1966 18.0326 0.6612 F 0 0 0 0 0 0 0 0 0 0 0 0 19.2249 19.2634 2.4978 F 0 0 0 0 0 0 0 0 0 0 0 0 20.6394 16.7838 3.2891 F 0 0 0 0 0 0 0 0 0 0 0 0 16.2173 3.6433 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9536 5.4897 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5847 11.2213 1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 5.6801 1.7157 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5043 4.8024 1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9269 3.6518 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8945 3.4171 -0.8841 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3920 4.3079 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2739 4.1245 -2.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4749 5.0034 3.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0201 4.1127 3.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 3.0418 2.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4445 2.8080 0.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 2.1406 2.4459 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3066 2.2254 -2.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 2.3629 3.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 3.6869 5.6753 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 3.1677 6.8166 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 2.0505 5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 1.5854 4.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 1.3048 6.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1537 11.5567 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3440 8.9569 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9295 5.8253 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8767 9.0032 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6718 14.2086 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0327 18.8369 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 17.1082 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8399 13.9221 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0330 3.0665 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4652 3.2373 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 3.2174 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8682 5.8698 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 1.3533 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 2.9268 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4276 1.6812 -2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5527 1.1815 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 0.6688 3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1218 6.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 0.0000 6.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 1.2537 7.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 M END > (622) 630 > (622) C26H20F3N7O2S > (622) 551.5449 > (622) FGFR-P630 > (622) Example 29 > (622) FGFR3 > (622) <10000 > (622) WO2006002367 > (622) 2006 > (622) P > (622) TRAIN $$$$ Structure96 csChFnd70/04170815452D 53 56 0 0 0 0 0 0 0 0999 V2000 12.2959 9.8039 -0.3061 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3195 7.9966 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7775 7.0879 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 5.2867 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3905 4.4095 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9184 5.3251 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8881 7.1110 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5697 10.7547 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 12.6682 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7935 13.6568 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 15.4420 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3081 16.2532 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 15.2812 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0742 13.4946 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1227 16.5113 1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4050 16.8482 0.6600 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4337 18.0785 2.4960 F 0 0 0 0 0 0 0 0 0 0 0 0 16.8484 15.6000 3.2872 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4306 2.4624 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1674 4.3073 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7956 10.0384 1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 4.4976 1.7157 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 3.6197 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 2.4691 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 2.2345 -0.8828 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6062 3.1254 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4876 2.9426 -2.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 1.0435 -2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 3.8205 3.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 2.9297 3.5064 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 1.8589 2.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 1.6253 0.8248 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 0.9584 2.4458 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1546 1.1919 4.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3656 10.3727 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5569 7.7734 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1415 4.6441 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0879 7.8208 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8817 13.0253 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2421 17.6513 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9138 15.9224 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 12.7373 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2462 1.8850 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6783 2.0569 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3960 2.0368 1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 1.7448 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6422 0.4994 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 0.0000 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 4.6869 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 0.1710 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3814 3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.8211 5.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 2.5474 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END > (623) 631 > (623) C23H19F3N6O2 > (623) 468.4373 > (623) FGFR-P631 > (623) Example 3 > (623) FGFR3 > (623) <10000 > (623) WO2006002367 > (623) 2006 > (623) P > (623) TRAIN $$$$ Structure123 csChFnd70/04170815452D 63 67 0 0 0 0 0 0 0 0999 V2000 14.7195 14.7002 2.1808 N 0 0 3 0 0 0 0 0 0 0 0 0 13.6572 14.7271 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1613 13.7250 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1065 13.7569 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 14.7971 -2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0548 15.7895 -2.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0972 15.7639 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4572 14.8294 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5882 14.6688 3.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3887 14.8018 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4364 14.6582 4.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7063 14.3822 6.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9231 14.2491 6.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8603 14.3909 5.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3803 14.8014 4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8798 16.5392 4.8295 F 0 0 0 0 0 0 0 0 0 0 0 0 23.1856 13.7995 5.9289 F 0 0 0 0 0 0 0 0 0 0 0 0 22.8799 14.1991 3.0039 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4274 14.8361 -3.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5078 12.6903 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0944 15.0777 0.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6176 10.9877 -0.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1818 10.0028 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 10.7685 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3472 12.5456 -1.0025 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7934 13.5387 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6814 15.1158 -0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2953 8.1796 -0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 7.2654 -0.9931 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 8.0347 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 9.7462 -1.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 7.0133 -1.1111 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6245 13.3519 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9662 5.2148 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 4.0474 -1.1602 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3519 2.3849 -0.9017 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 2.5417 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4386 4.3053 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 4.4543 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 1.0693 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2050 14.5940 3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8145 12.9223 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4062 16.5932 -3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 16.5436 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9603 15.0164 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5324 14.2697 7.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3617 14.0337 7.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4685 14.2869 5.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 15.7801 -3.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2053 15.2039 -4.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8677 13.5529 -4.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5434 7.5406 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 7.5482 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1452 13.5497 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 14.6003 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 12.5058 -1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 4.8508 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 4.4683 -2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4718 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 5.7255 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 0.6265 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2705 1.5164 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 0.0000 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 M END > (624) 632 > (624) C27H23F3N8O2 > (624) 548.5263 > (624) FGFR-P632 > (624) Example 30 > (624) FGFR3 > (624) <10000 > (624) WO2006002367 > (624) 2006 > (624) P > (624) TRAIN $$$$ Structure124 csChFnd70/04170815452D 73 77 0 0 0 0 0 0 0 0999 V2000 8.4096 9.7327 -0.2752 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5095 7.9430 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 7.0421 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 5.2582 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7271 4.3902 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9525 5.2980 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 7.0665 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8577 10.6818 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7507 12.5777 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 13.3887 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 15.1586 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5377 16.1351 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1366 15.3405 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 13.5626 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 16.0303 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 14.7871 -0.2330 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 17.0485 1.2368 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 17.0645 -1.6979 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8467 2.4620 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 4.2873 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2520 9.9783 -0.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 4.4853 3.5166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 3.6152 4.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 2.4646 3.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7075 2.2221 1.8447 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8958 3.1050 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 2.9149 -0.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5972 3.8243 6.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 2.9410 7.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 1.8699 6.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 1.6287 4.5272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 0.9773 7.1404 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5365 1.0304 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 1.2195 9.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6319 16.3330 -0.2923 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1703 15.2388 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7741 16.3706 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8090 17.5547 1.0457 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 18.6490 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6670 17.5173 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3815 18.5983 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2304 20.0231 2.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 10.2908 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2304 7.7204 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9965 4.6243 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8078 7.7703 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 12.6305 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4540 17.5200 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4886 12.9424 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0589 1.8801 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1794 2.0654 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3884 2.0456 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4393 4.6910 6.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 0.1900 6.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 1.7174 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 0.4876 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.0000 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 2.5632 9.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4144 9.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 0.8612 9.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2170 14.4778 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1222 14.3849 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9180 15.5633 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7444 17.1057 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3189 19.5029 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2241 19.4100 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 18.3244 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6967 16.7822 2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4822 17.7868 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5549 19.1693 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1297 20.8345 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0569 19.4520 3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3971 20.7973 2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 42 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 M END > (625) 633 > (625) C29H31F3N8O2 > (625) 580.6115 > (625) FGFR-P633 > (625) Example 31 > (625) FGFR3 > (625) <10000 > (625) WO2006002367 > (625) 2006 > (625) P > (625) TRAIN $$$$ Structure125 csChFnd70/04170815452D 70 74 0 0 0 0 0 0 0 0999 V2000 12.3474 9.8471 -0.3072 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3715 8.0320 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8228 7.1193 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8536 5.3104 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 4.4295 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9772 5.3493 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9468 7.1428 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6267 10.8020 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5325 12.7240 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1197 13.5530 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0314 15.3468 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3383 16.3296 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7501 15.5172 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8508 13.7149 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5055 16.2381 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 14.9842 -1.9451 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6358 17.2616 -0.0517 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 17.2957 -2.6398 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4834 2.4742 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 4.3267 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 10.0829 1.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 4.5177 1.7232 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 3.6361 1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1683 2.4805 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1396 2.2448 -0.8863 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6427 3.1396 -1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5279 2.9560 -2.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 3.8376 3.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 2.9429 3.5216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 1.8673 2.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6799 1.6329 0.8285 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 0.9628 2.4565 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5498 1.0480 -2.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 1.1974 4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0681 16.5161 1.8671 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4269 15.4001 2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8926 16.5404 3.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1797 17.7311 4.6602 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8210 18.8469 3.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3552 17.7069 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5656 18.7814 5.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4131 10.4181 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5971 7.8076 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2056 4.6654 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1516 7.8558 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0963 12.7901 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2622 17.7332 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9469 13.0811 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2984 1.8944 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7365 2.0673 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 2.0467 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 4.7077 4.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.1721 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 1.7518 -3.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6753 0.5019 -2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 0.0000 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 2.5587 4.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3833 3.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 0.8251 5.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8722 14.6216 3.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9457 14.5418 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8843 15.7169 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4710 17.2927 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3023 19.7053 4.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3757 19.6256 2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3636 18.5303 2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7770 16.9546 4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2138 19.5478 4.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0022 19.6512 6.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 17.9247 6.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 M END > (626) 634 > (626) C28H29F3N8O2 > (626) 566.5847 > (626) FGFR-P634 > (626) Example 32 > (626) FGFR3 > (626) <10000 > (626) WO2006002367 > (626) 2006 > (626) P > (626) TRAIN $$$$ Structure126 csChFnd70/04170815452D 76 80 0 0 0 0 0 0 0 0999 V2000 8.4672 9.7971 -0.2772 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5676 7.9952 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3216 7.0885 0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 5.2925 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7863 4.4185 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 5.3322 -0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 7.1128 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9253 10.7522 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 12.6609 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3255 13.6542 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 15.4347 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6161 16.2368 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1169 15.2604 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 13.4782 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8421 16.5090 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2856 15.4181 -0.3318 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 17.5493 -1.8027 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 17.5568 1.1517 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9063 2.4773 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1022 4.3152 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3288 10.0441 -0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 4.5145 3.5404 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 3.6388 4.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 2.4806 3.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 2.2363 1.8572 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9289 3.1250 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0451 2.9336 -0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 3.8494 6.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 2.9601 7.0789 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 1.8819 6.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 1.6391 4.5579 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 0.9834 7.1887 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5531 1.0372 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 1.2274 9.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 18.8292 -2.0649 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3676 20.6842 -2.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7525 21.3283 -4.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7176 20.3360 -5.2567 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 18.4810 -5.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7317 17.8369 -3.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 20.9823 -7.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5064 18.1829 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1459 19.7322 -8.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 10.3590 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 7.7713 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 4.6539 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 7.8213 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5749 13.0298 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 15.8943 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 12.7173 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 1.8915 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2481 2.0778 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4449 2.0582 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 4.7217 6.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 0.1909 6.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 1.7294 0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 0.4905 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 0.0000 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4170 9.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 0.8665 9.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 2.5801 9.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0045 20.8906 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1615 21.3930 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 22.6954 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1228 21.1541 -4.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3226 17.7722 -6.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4796 18.2745 -5.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0621 16.4698 -3.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 18.0111 -3.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3826 22.2538 -7.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3587 21.0812 -7.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2367 18.5825 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5035 18.7109 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3391 20.2118 -9.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7413 18.4607 -8.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 19.6334 -8.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 35 42 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 43 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 M END > (627) 635 > (627) C30H33F3N8O2 > (627) 594.6383 > (627) FGFR-P635 > (627) Example 33 > (627) FGFR3 > (627) <10000 > (627) WO2006002367 > (627) 2006 > (627) P > (627) TRAIN $$$$ Structure127 csChFnd70/04170815452D 65 69 0 0 0 0 0 0 0 0999 V2000 12.5608 17.1080 3.2090 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5795 16.9753 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 15.7423 1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 15.6152 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 16.7302 -1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 17.9530 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 18.0843 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2672 17.5162 3.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3368 17.5171 4.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1047 17.9393 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0938 17.9448 6.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3374 17.5331 7.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5863 17.1136 7.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5821 17.1032 6.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0025 18.3996 6.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2094 20.1978 6.2816 F 0 0 0 0 0 0 0 0 0 0 0 0 20.8974 17.5185 7.3833 F 0 0 0 0 0 0 0 0 0 0 0 0 20.6728 17.9049 4.4395 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 16.5976 -3.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 14.3019 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9267 17.8837 1.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 12.6339 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 11.4277 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 11.9175 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 13.6498 -0.3966 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0546 14.8657 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 16.4090 -0.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4182 9.6410 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1371 8.5028 -0.3858 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4879 9.0159 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 10.6820 -0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 7.7669 -0.6497 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9569 14.1707 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 6.0002 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 5.4617 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 3.6970 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 2.5376 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 3.0895 -1.3111 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 4.7551 -1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 5.3167 -2.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 0.6162 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 16.9113 4.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 14.8829 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 18.8141 -2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9420 19.0442 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6968 18.2605 3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1177 17.5390 8.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0038 16.7935 9.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2151 16.7752 6.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 17.3625 -2.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 17.0962 -4.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 15.2383 -3.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7538 9.2094 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 8.1160 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 14.2734 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 15.4287 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 13.1974 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 6.3967 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 3.2325 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3215 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 6.6229 -3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 4.4115 -3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 0.0291 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 0.0000 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1449 0.4299 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 36 37 2 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 M END > (628) 636 > (628) C29H24F3N7O2 > (628) 559.5495 > (628) FGFR-P636 > (628) Example 34 > (628) FGFR3 > (628) <10000 > (628) WO2006002367 > (628) 2006 > (628) P > (628) TRAIN $$$$ Structure128 csChFnd70/04170815452D 62 66 0 0 0 0 0 0 0 0999 V2000 12.5247 15.9014 3.1998 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5462 15.7691 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 14.5397 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2635 14.4130 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6171 15.5246 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9245 16.7440 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8832 16.8749 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2262 16.3084 3.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2927 16.3093 4.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0555 16.7304 4.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0418 16.7358 6.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2875 16.3253 7.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5414 15.9070 7.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5402 15.8966 6.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9450 17.1894 6.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1513 18.9824 6.2636 F 0 0 0 0 0 0 0 0 0 0 0 0 20.8373 16.3107 7.3620 F 0 0 0 0 0 0 0 0 0 0 0 0 20.6134 16.6961 4.4268 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 15.3925 -3.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8621 13.1034 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 16.6749 1.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 11.4402 -0.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 10.2375 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 10.7259 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 12.4532 -0.3955 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0372 13.6656 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 15.2045 -0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3968 8.4560 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 7.3209 -0.3847 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 7.8326 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 9.4939 -0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 6.5872 -0.6478 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9484 12.9725 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 4.8256 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9652 4.2886 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3339 2.5290 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 1.3730 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 1.9233 -1.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 3.5841 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 4.1440 -2.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9774 15.7053 4.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 13.6827 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1964 17.6027 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9048 17.8322 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6459 17.0506 3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0657 16.3312 8.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9607 15.5878 9.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1772 15.5696 6.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 16.1552 -2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3351 15.8897 -4.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2370 14.0371 -3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 8.0255 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 6.9352 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 13.0749 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 14.2270 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 12.0020 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 5.2209 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3755 2.0659 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 0.0000 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1488 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 5.4465 -3.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 3.2414 -3.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 36 37 2 0 0 0 0 36 58 1 0 0 0 0 37 38 1 0 0 0 0 37 59 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 M END > (629) 637 > (629) C28H22F3N7O2 > (629) 545.5227 > (629) FGFR-P637 > (629) Example 35 > (629) FGFR3 > (629) <10000 > (629) WO2006002367 > (629) 2006 > (629) P > (629) TRAIN $$$$ Structure130 csChFnd70/04170815452D 60 64 0 0 0 0 0 0 0 0999 V2000 8.4107 8.3854 -0.3253 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3530 6.5867 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 5.8579 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 4.0644 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2574 3.0137 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5007 3.7513 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5477 5.5292 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9504 9.1946 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 11.1038 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 11.9452 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 13.7260 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1516 14.6901 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5604 13.8564 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4911 12.0755 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 14.6338 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7150 13.3994 -1.3088 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3509 15.6985 -2.5893 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 15.6467 0.3508 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2066 1.0743 0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 3.2765 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2816 8.3505 -0.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 3.5868 4.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 2.8829 5.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 1.7909 4.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 1.4346 2.6415 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3632 2.1505 1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 1.8565 0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 3.2128 6.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 2.4915 7.8291 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 1.4704 7.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 1.1204 5.4678 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8938 0.7485 8.2318 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2174 16.4897 -0.9548 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6415 17.2975 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8077 19.2711 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8242 19.8568 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 19.0966 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 17.1213 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 9.0500 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 6.6769 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4363 2.9364 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 6.0993 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8012 11.1981 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 14.6078 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 11.4295 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 0.5089 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 0.5357 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8058 0.7754 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 0.6852 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 4.0402 7.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 0.9901 9.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 16.9548 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4481 16.8369 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3128 19.8791 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1673 19.6183 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 19.5786 -3.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 19.4389 -2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 16.5321 -3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 16.7757 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 M END > (630) 639 > (630) C25H22F3N7O3 > (630) 525.4891 > (630) FGFR-P639 > (630) Example 37 > (630) FGFR3 > (630) <10000 > (630) WO2006002367 > (630) 2006 > (630) P > (630) TRAIN $$$$ Structure131 csChFnd70/04170815452D 57 61 0 0 0 0 0 0 0 0999 V2000 10.1809 9.0950 -0.2888 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2033 7.3891 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7478 6.5313 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7766 4.8310 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 4.0031 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7126 4.8675 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 6.5532 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3832 9.9925 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 11.7989 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9671 12.5783 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8845 14.2643 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 15.1870 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4392 14.4231 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5340 12.7304 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 15.1028 -1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3766 13.9251 -1.8278 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 16.0646 -0.0470 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0107 16.0976 -2.4792 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3085 2.1652 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2281 3.9066 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5404 9.3166 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 4.0861 1.6196 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 3.2573 1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 2.1708 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 1.9493 -0.8328 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6986 2.7908 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 2.6178 -2.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 3.4469 3.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 2.6055 3.3101 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 1.5942 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 1.3737 0.7792 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6546 0.7436 2.3095 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6825 15.3652 1.7600 N 0 0 3 0 0 0 0 0 0 0 0 0 15.0558 14.7852 2.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9129 16.0999 3.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0912 17.4485 2.5842 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7569 17.0247 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5178 16.0625 3.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 9.6319 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 7.1782 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8671 4.2247 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8164 7.2233 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0052 11.8615 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0422 16.5065 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5638 12.1345 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1347 1.6202 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4862 1.7825 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3319 1.7635 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 1.2043 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 4.2652 4.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8897 3.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.0000 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3868 13.5172 2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 17.8545 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5237 16.0679 3.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6085 17.1349 4.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5822 14.9574 4.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 37 2 0 0 0 0 37 54 1 0 0 0 0 38 55 1 0 0 0 0 38 56 1 0 0 0 0 38 57 1 0 0 0 0 M END > (631) 640 > (631) C25H19F3N8O2 > (631) 520.4727 > (631) FGFR-P640 > (631) Example 38 > (631) FGFR3 > (631) <10000 > (631) WO2006002367 > (631) 2006 > (631) P > (631) TRAIN $$$$ Structure132 csChFnd70/04170815452D 60 64 0 0 0 0 0 0 0 0999 V2000 7.6479 9.0861 -0.2620 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7429 7.3820 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 6.5243 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 4.8256 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 3.9993 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 4.8636 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 6.5476 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0267 9.9897 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9248 11.7950 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4014 12.5672 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3096 14.2523 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 15.1821 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2444 14.4255 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 12.7327 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 15.0823 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 13.8985 -0.2219 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 16.0518 1.1777 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 16.0670 -1.6165 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 2.1633 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 3.9014 1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3543 9.3200 -0.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 4.0899 3.3483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 3.2614 4.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 2.1659 3.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 1.9349 1.7563 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3021 2.7756 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4121 2.5946 -0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 3.4605 5.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 2.6194 6.6949 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 1.5995 5.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 1.3700 4.3107 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 0.7498 6.7987 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6681 15.3706 -0.2783 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1334 14.3283 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6598 15.4100 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6540 16.5206 0.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2446 17.5551 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7037 16.4952 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5898 9.6175 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 7.1699 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 4.2222 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 7.2178 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 11.8453 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 16.5007 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5316 12.1424 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 1.6093 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 1.7857 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 1.7668 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 1.1837 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 4.2857 6.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.9025 7.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 6.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1695 13.5915 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0967 13.5277 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7508 14.6455 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6562 16.0983 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3119 18.3422 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1999 18.3059 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6236 17.2763 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7171 15.7930 2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 M END > (632) 641 > (632) C25H22F3N7O3 > (632) 525.4891 > (632) FGFR-P641 > (632) Example 39 > (632) FGFR3 > (632) <10000 > (632) WO2006002367 > (632) 2006 > (632) P > (632) TRAIN $$$$ Structure97 csChFnd70/04170815452D 73 78 0 0 0 0 0 0 0 0999 V2000 11.1257 20.0451 2.5967 N 0 0 3 0 0 0 0 0 0 0 0 0 10.1028 19.9424 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7721 18.7211 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7558 18.6245 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 19.7580 -1.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 20.9685 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 21.0696 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8349 20.4415 2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9445 20.4218 4.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7155 20.8319 3.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7420 20.8183 5.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 20.3989 7.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2663 19.9907 7.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2246 20.0006 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6540 21.2606 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8797 23.0577 5.5104 F 0 0 0 0 0 0 0 0 0 0 0 0 19.5752 20.3614 6.5756 F 0 0 0 0 0 0 0 0 0 0 0 0 19.2819 20.7734 3.6373 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9897 19.6588 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 17.3239 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4641 20.8154 1.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7022 15.6501 -0.6794 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 14.4554 -0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 14.9634 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 16.7023 -0.8693 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5036 17.9066 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 19.4552 -0.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 17.2421 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 12.6627 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 11.5360 -0.9361 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 12.0661 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 13.7388 -1.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 10.8293 -1.1435 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9781 9.0524 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 8.5067 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 6.7552 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 5.5390 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 6.0848 -1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 7.8358 -1.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 3.7639 -0.6406 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 2.7130 -1.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 0.7937 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 0.2433 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6283 1.2383 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 3.1621 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6037 19.8359 3.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5239 17.8472 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 21.8439 -2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4523 22.0200 -0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2807 21.1586 2.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8297 20.3896 8.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7111 19.6639 8.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 19.6820 5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 20.4336 -3.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7328 20.1668 -4.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 18.3044 -3.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 17.3375 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 18.5088 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 16.2814 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1548 12.2172 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 11.1913 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 9.4525 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7614 6.3308 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 5.1391 -2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.2603 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 2.8523 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 3.1590 -3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 0.0000 -2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 0.6436 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 0.7662 2.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 1.1012 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 3.9359 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 3.3086 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 36 37 2 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 41 42 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 42 43 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 M END > (633) 642 > (633) C32H28F3N7O3 > (633) 615.6135 > (633) FGFR-P642 > (633) Example 4 > (633) FGFR3 > (633) <10000 > (633) WO2006002367 > (633) 2006 > (633) P > (633) TRAIN $$$$ Structure133 csChFnd70/04170815452D 67 71 0 0 0 0 0 0 0 0999 V2000 8.0311 9.5415 -0.2751 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1311 7.7520 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 6.8514 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 5.0675 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3487 4.1998 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5739 5.1074 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 6.8758 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 10.4905 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3721 12.3862 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 13.1971 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 14.9668 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1591 15.9431 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7579 15.1486 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8687 13.3708 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 15.8383 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 14.5952 -0.2330 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8066 16.8563 1.2367 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 16.8723 -1.6975 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4682 2.2718 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 4.0969 1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8732 9.7871 -0.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5499 4.2948 3.5162 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 3.4248 4.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 2.2744 3.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 2.0319 1.8444 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5178 2.9148 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 2.7247 -0.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 3.6340 6.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 2.7508 7.0304 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 1.6797 6.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 1.4386 4.5267 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 0.7874 7.1395 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2530 16.1410 -0.2922 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7910 15.0469 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3947 16.1785 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4297 17.3624 1.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8916 18.4567 1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 17.3250 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0017 18.4060 1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8508 19.8305 2.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 10.0995 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 7.5293 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6177 4.4338 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4291 7.5795 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6107 12.4390 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 17.3277 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1096 12.7510 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6806 1.6900 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8007 1.8752 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0099 1.8554 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 1.2430 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0612 4.5005 6.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 0.9477 8.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 6.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8378 14.2861 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 14.1931 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5384 15.3714 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3649 16.9135 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 19.3105 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8448 19.2175 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1442 18.1321 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3177 16.5901 2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1025 17.5945 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1753 18.9769 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6773 19.2595 3.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0172 20.6047 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7503 20.6418 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 M END > (634) 643 > (634) C27H27F3N8O2 > (634) 552.5579 > (634) FGFR-P643 > (634) Example 40 > (634) FGFR3 > (634) <10000 > (634) WO2006002367 > (634) 2006 > (634) P > (634) TRAIN $$$$ Structure134 csChFnd70/04170815452D 64 68 0 0 0 0 0 0 0 0999 V2000 7.8919 9.3761 -0.2704 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9901 7.6176 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 6.7326 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8772 4.9797 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2039 4.1270 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 5.0188 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 6.7565 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3147 10.3085 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 12.1714 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 12.9682 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5429 14.7072 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0003 15.6666 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 14.8859 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6802 13.1390 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 15.5636 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5694 14.3420 -0.2290 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7059 16.5640 1.2152 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6815 16.5796 -1.6682 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 2.2324 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 4.0258 1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6846 9.6175 -0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4536 4.2204 3.4552 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 3.3654 4.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 2.2350 3.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 1.9967 1.8124 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4395 2.8642 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 2.6774 -0.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 3.5709 6.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 2.7030 6.9085 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 1.6506 6.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 1.4136 4.4482 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 0.7737 7.0157 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0405 15.8611 -0.2871 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5519 14.7860 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1278 15.8980 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1621 17.0614 1.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6507 18.1366 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0750 17.0247 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7069 18.0868 1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 9.9244 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 7.3987 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 4.3569 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2482 7.4481 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 12.2233 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 17.0272 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8997 12.5299 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 1.6607 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 1.8427 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 1.8233 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 1.2214 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 4.4224 6.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 0.9312 8.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 14.0383 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5047 13.9469 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2516 15.1048 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0985 16.6202 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6979 18.9756 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6047 18.8842 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9509 17.8177 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 16.3024 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7617 18.8230 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6999 18.9365 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8056 17.2617 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 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 31 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 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 M END > (635) 644 > (635) C26H25F3N8O2 > (635) 538.5311 > (635) FGFR-P644 > (635) Example 41 > (635) FGFR3 > (635) <10000 > (635) WO2006002367 > (635) 2006 > (635) P > (635) TRAIN $$$$ Structure98 csChFnd70/04170815452D 56 59 0 0 0 0 0 0 0 0999 V2000 12.1111 11.3871 -0.3073 N 0 0 3 0 0 0 0 0 0 0 0 0 12.1348 9.5721 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5862 8.6596 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6168 6.8507 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2061 5.9698 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7404 6.8892 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7099 8.6828 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 12.3419 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2963 14.2634 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6192 15.2563 1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5273 17.0489 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1275 17.8636 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8121 16.8875 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8884 15.0934 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9540 18.1228 1.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2417 18.4611 0.6627 F 0 0 0 0 0 0 0 0 0 0 0 0 15.2620 19.6966 2.5065 F 0 0 0 0 0 0 0 0 0 0 0 0 16.6829 17.2076 3.3011 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2463 4.0144 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9693 5.8672 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6213 11.6226 1.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0066 6.0583 1.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5105 5.1766 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 4.0212 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 3.7855 -0.8865 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4057 4.6802 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2908 4.4966 -2.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 2.5895 -2.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 5.3784 3.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 4.4837 3.5213 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 3.4084 2.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 3.1738 0.8282 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 2.5041 2.4562 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 2.7386 4.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 1.3098 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1767 11.9583 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3605 9.3480 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9686 6.2054 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9148 9.3956 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7120 14.6221 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0612 19.2677 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 17.5314 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 14.3328 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0612 3.4346 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4993 3.6072 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2073 3.5870 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 3.2939 -3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 2.0431 -2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 1.5416 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8719 6.2483 4.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7978 3.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 1.5409 4.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 3.0517 5.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 1.3072 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 0.0000 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 1.7338 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 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 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 M END > (636) 647 > (636) C24H21F3N6O2 > (636) 482.4641 > (636) FGFR-P647 > (636) Example 5 > (636) FGFR3 > (636) <10000 > (636) WO2006002367 > (636) 2006 > (636) P > (636) TRAIN $$$$ Structure99 csChFnd70/04170815452D 63 66 0 0 0 0 0 0 0 0999 V2000 14.2091 12.9304 3.0214 N 0 0 3 0 0 0 0 0 0 0 0 0 13.0839 12.9095 1.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5457 11.7991 1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4283 11.7837 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8652 12.8862 -1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3990 13.9870 -1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5034 14.0079 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0333 13.1291 2.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 13.0107 4.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1263 13.2159 4.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2404 13.1115 5.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4883 12.8031 7.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6164 12.5985 7.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4866 12.7006 6.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2810 13.3326 5.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7437 15.1815 5.7673 F 0 0 0 0 0 0 0 0 0 0 0 0 23.1708 12.3144 6.9395 F 0 0 0 0 0 0 0 0 0 0 0 0 22.8225 12.7072 3.8573 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 12.8740 -3.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 10.6013 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6893 13.4060 1.3297 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 8.8130 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4865 7.7226 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 8.4670 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4613 10.3317 -0.2870 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9474 11.4310 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 13.0873 -0.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 11.1166 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 5.8077 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 4.7912 -0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 5.5439 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 7.3390 -0.3166 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 4.4146 -0.3501 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1733 5.2075 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 2.4231 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 1.7381 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 2.0607 2.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 1.4678 4.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6759 12.8074 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2145 10.9484 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7350 14.8386 -2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7022 14.8720 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7150 13.4555 2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3667 12.7214 8.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0383 12.3578 9.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0255 12.5412 6.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5334 13.8304 -3.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4632 13.2824 -4.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 11.5008 -3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 11.3177 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 12.4288 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7089 10.1872 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0110 5.1812 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 5.3983 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 4.2884 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 6.5259 0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 1.7841 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 2.0684 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 0.2759 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3047 2.4665 2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 0.0000 4.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3774 2.1905 5.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7607 4.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 M END > (637) 648 > (637) C26H25F3N6O3 > (637) 526.5171 > (637) FGFR-P648 > (637) Example 6 > (637) FGFR3 > (637) <10000 > (637) WO2006002367 > (637) 2006 > (637) P > (637) TRAIN $$$$ Structure100 csChFnd70/04170815452D 59 62 0 0 0 0 0 0 0 0999 V2000 13.1720 11.3559 -0.3061 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1956 9.5482 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6532 8.6392 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6837 6.8376 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 5.9602 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7948 6.8760 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7644 8.6623 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4459 12.3068 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3525 14.2207 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6701 15.2096 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5786 16.9951 1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1843 17.8065 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8742 16.8343 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9502 15.0474 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9995 18.0647 1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2821 18.4017 0.6601 F 0 0 0 0 0 0 0 0 0 0 0 0 16.3103 19.6321 2.4965 F 0 0 0 0 0 0 0 0 0 0 0 0 17.7255 17.1532 3.2880 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3067 4.0127 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0427 5.8581 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6722 11.5904 1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 6.0484 1.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5938 5.1703 1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 4.0194 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 3.7847 -0.8830 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4814 4.6759 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3630 4.4930 -2.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 2.5935 -2.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 5.3712 3.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1099 4.4801 3.5071 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 3.4092 2.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 3.1755 0.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 2.5084 2.4463 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0282 2.7421 4.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 4.3238 3.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 1.1269 4.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2413 11.9247 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4324 9.3249 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0180 6.1949 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9645 9.3723 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7584 14.5780 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1183 19.2049 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7895 17.4756 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9269 14.2898 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1223 3.4353 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 3.6071 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2718 3.5871 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 3.2951 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 2.0493 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 1.5498 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 6.2377 4.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 1.7208 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.9400 5.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 5.4745 3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1259 2.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 4.4976 4.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 0.0000 4.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 1.3007 5.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 0.9291 3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 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 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 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 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 M END > (638) 649 > (638) C25H23F3N6O2 > (638) 496.4909 > (638) FGFR-P649 > (638) Example 7 > (638) FGFR3 > (638) <10000 > (638) WO2006002367 > (638) 2006 > (638) P > (638) TRAIN $$$$ Structure102 csChFnd70/04170815452D 69 73 0 0 0 0 0 0 0 0999 V2000 14.9910 16.7104 2.9477 N 0 0 3 0 0 0 0 0 0 0 0 0 13.8933 16.6899 1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 15.6066 1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3025 15.5915 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7287 16.6672 -1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2251 17.7410 -1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3026 17.7615 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7708 16.9042 2.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9444 16.7886 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7884 16.9888 4.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8753 16.8869 5.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1415 16.5862 7.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3153 16.3866 7.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2131 16.4862 6.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8661 17.1026 5.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3176 18.9064 5.6266 F 0 0 0 0 0 0 0 0 0 0 0 0 23.7343 16.1094 6.7703 F 0 0 0 0 0 0 0 0 0 0 0 0 23.3945 16.4926 3.7631 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5550 16.6553 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6983 14.4380 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4108 17.1744 1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8724 12.6932 -0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 11.6295 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 12.3556 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 14.1749 -0.2800 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9065 15.2475 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 16.8634 -0.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6579 14.9406 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6145 9.7612 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 8.7695 -0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 9.5039 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3048 11.2552 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 8.4021 -0.3416 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2964 6.4593 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 5.5581 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6924 3.6101 -0.3712 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 2.7021 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 0.6795 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 0.1795 1.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 1.0383 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 3.0645 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4709 16.5903 4.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 14.7766 2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5529 18.5720 -2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4721 18.6045 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3627 17.2226 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9985 16.5065 8.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7513 16.1517 8.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7876 16.3306 6.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4537 17.5883 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3365 17.0538 -4.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 15.3156 -3.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 15.1368 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 16.2210 -1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 14.0339 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9197 9.1501 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 8.9143 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 6.0526 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 6.0624 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 5.9648 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 5.9549 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 3.0692 1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 3.0992 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 0.3036 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 0.6184 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 0.6728 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 3.7263 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 3.4375 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 M END > (639) 651 > (639) C28H28F3N7O3 > (639) 567.5695 > (639) FGFR-P651 > (639) Example 9 > (639) FGFR3 > (639) <10000 > (639) WO2006002367 > (639) 2006 > (639) P > (639) TRAIN $$$$ Structure78 csChFnd70/04170815452D 76 81 0 0 0 0 0 0 0 0999 V2000 6.2956 11.0326 -2.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 9.1755 -2.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 8.2483 -2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 6.5069 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 5.6908 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 6.6095 -1.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 8.3452 -2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6791 11.7544 -2.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 11.9241 -3.0724 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1465 5.5717 -1.4756 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6979 6.4227 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9027 8.0942 -1.1938 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5801 8.4571 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4593 6.9709 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 5.6649 -1.1355 N 0 0 3 0 0 0 0 0 0 0 0 0 12.0760 1.1635 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 0.4737 -1.1808 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1886 1.4488 -2.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8878 3.2342 -2.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6190 3.9085 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 2.8305 -0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4711 1.1274 -3.3905 N 0 0 3 0 0 0 0 0 0 0 0 0 15.0854 3.9537 -3.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9955 2.6317 -4.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9004 13.7057 -3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 14.5119 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7903 16.2723 -4.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 17.2328 -3.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 16.4344 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1328 14.6740 -2.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 17.1478 -5.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 15.9196 -6.4813 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 18.3416 -4.8270 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 17.9950 -7.0878 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 19.1538 -3.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 19.9687 -2.9102 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 21.8447 -2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 22.6514 -1.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 21.9380 -0.0753 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 20.0620 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 19.2552 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 22.7528 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 21.7695 2.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 3.7975 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9558 8.8847 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 5.9684 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 9.0587 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 11.3298 -3.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1069 4.3267 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1284 9.7279 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8325 6.8267 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3382 0.3320 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9403 0.0000 -3.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2137 5.2911 -3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9922 2.7383 -5.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 13.7626 -5.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 17.1881 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0472 14.0510 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 19.6288 -3.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 19.4635 -5.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 22.1604 -2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 22.3443 -4.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 24.0397 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 22.3652 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 19.5623 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 19.7463 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 17.8669 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 19.5415 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 24.0798 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 22.7312 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 20.4425 2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 21.7911 3.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 22.3741 3.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8706 3.6176 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 3.2430 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 3.1630 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 9 25 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 M END > (640) 653 > (640) C31H32F3N9O > (640) 603.6487 > (640) FGFR-P653 > (640) Example10 > (640) FGFR > (640) <10000 > (640) WO2006101783 > (640) 2006 > (640) P > (640) TRAIN $$$$ Structure79 csChFnd70/04170815452D 73 78 0 0 0 0 0 0 0 0999 V2000 7.6907 11.2671 0.5528 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7407 9.4718 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 8.5128 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 6.7314 1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8498 5.9138 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1159 6.8724 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 8.6465 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1645 12.1713 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 5.7609 2.0168 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8054 6.5672 2.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 8.2325 2.7756 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 8.5474 3.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 7.0364 3.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 5.7646 3.3864 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3002 1.2682 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 0.5465 3.8064 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 1.4964 5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 3.2899 5.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 3.9985 3.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 2.9441 2.2551 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 1.1401 6.7709 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9748 3.9771 6.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 2.6304 7.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1082 14.0593 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 14.9091 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 16.6708 1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9901 17.6006 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5679 16.7670 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 14.9971 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 17.5846 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 16.3845 1.0870 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6371 18.4448 2.8054 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 18.7724 -0.1123 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 3.9794 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5401 11.4341 0.5859 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0898 17.7126 1.2959 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5991 16.5827 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2351 17.6747 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2774 18.6949 2.8006 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7681 19.8247 2.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1322 18.7327 2.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8777 19.6891 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7423 20.9668 4.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 11.8619 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 9.1514 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 6.2339 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0540 9.3922 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 4.5222 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 9.8022 3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 6.8530 4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 0.4568 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 0.0000 7.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 5.3111 7.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7099 8.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 14.1874 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 18.9792 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 14.3468 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 3.5348 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2430 3.5564 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 3.4477 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6060 15.6999 2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5466 15.8530 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3569 16.8372 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2448 18.5331 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8205 20.5544 4.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7613 20.7074 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0102 19.5704 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1223 17.8743 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9517 18.8188 3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0875 20.3865 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6684 21.8371 4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5325 20.2693 5.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9298 21.7046 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 8 24 1 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 55 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 56 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 29 57 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 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 M END > (641) 654 > (641) C30H30F3N9O > (641) 589.6219 > (641) FGFR-P654 > (641) Example11 > (641) FGFR > (641) <10000 > (641) WO2006101783 > (641) 2006 > (641) P > (641) TRAIN $$$$ Structure80 csChFnd70/04170815452D 52 56 0 0 0 0 0 0 0 0999 V2000 8.7406 10.8651 1.3414 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8773 9.1923 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 8.2315 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 6.5719 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 5.8777 1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 6.8377 1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3681 8.4902 1.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 11.8120 2.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3067 5.5999 1.1860 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8556 6.2742 0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 7.8138 0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0376 8.0244 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 6.5752 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 5.4495 0.3871 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0251 1.2404 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 0.5429 0.5245 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 1.4169 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 3.1047 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 3.7907 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 2.8171 -0.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.0709 2.4001 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7984 3.7291 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5039 3.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4364 13.5741 2.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3945 14.5585 3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1772 16.2025 3.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0127 16.8766 2.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0589 15.9083 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 14.2621 1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 17.2667 4.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 17.7181 3.3883 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3418 18.6415 4.6718 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6582 16.4284 5.6284 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3137 4.0756 1.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6935 11.2168 3.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 5.9194 2.9130 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.9822 11.3441 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 8.7740 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6627 6.2953 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4209 9.2374 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 4.4529 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4683 9.1653 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 6.3372 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8283 0.4937 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 0.0000 2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3034 14.0336 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8475 18.1646 2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 16.4420 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5191 13.5072 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 3.5833 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3016 3.7706 2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 3.5697 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 24 1 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 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 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 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 34 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 M END > (642) 655 > (642) C23H16BrF3N8O > (642) 557.3316 > (642) FGFR-P655 > (642) Example12 > (642) FGFR > (642) <10000 > (642) WO2006101783 > (642) 2006 > (642) P > (642) TRAIN $$$$ Structure81 csChFnd70/04170815452D 53 57 0 0 0 0 0 0 0 0999 V2000 4.7515 9.7037 -2.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 8.0687 -2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 7.2516 -1.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0207 5.7186 -1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 5.0008 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 5.8105 -1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 7.3386 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9607 10.3384 -2.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 10.4891 -2.5528 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3708 4.8946 -1.4387 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7497 5.6479 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9346 7.1242 -1.3261 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4251 7.4469 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2035 6.1356 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1484 4.9806 -1.3826 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0076 0.9972 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0116 0.3970 -1.5026 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 1.2677 -2.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 2.8446 -2.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 3.4300 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7236 2.4690 -0.5297 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8895 0.9933 -3.5249 N 0 0 3 0 0 0 0 0 0 0 0 0 12.5452 3.4931 -3.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3270 2.3316 -4.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 12.0591 -2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 12.7510 -3.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 14.3026 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 15.1674 -3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 14.4822 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 12.9308 -2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 15.0541 -4.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 15.4789 -3.9798 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 16.3435 -5.5715 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 14.0375 -6.0014 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 3.3342 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6702 4.9747 -3.9660 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 7.8115 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 5.2466 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 7.9672 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 9.9653 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 3.7950 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9144 8.5699 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 6.0099 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3859 0.2554 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2947 0.0000 -3.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1722 2.4348 -5.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 12.0764 -4.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 16.3806 -3.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 15.1606 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 12.3964 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6282 3.1925 0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 2.8381 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 2.7666 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 9 25 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 M END > (643) 656 > (643) C24H17F4N7O > (643) 495.4382 > (643) FGFR-P656 > (643) Example13 > (643) FGFR > (643) <10000 > (643) WO2006101783 > (643) 2006 > (643) P > (643) TRAIN $$$$ Structure82 csChFnd70/04170815452D 62 67 0 0 0 0 0 0 0 0999 V2000 4.1290 9.8561 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9733 8.3475 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 7.4487 -1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 6.0351 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 5.5180 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 6.4086 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 7.8189 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 10.3154 -1.8146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 10.7210 -1.4514 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1687 5.1298 -0.7335 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5231 5.6862 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 7.0382 -0.8471 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2641 7.1826 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8427 5.8834 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7439 4.9207 -1.0005 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8102 1.2363 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 0.5747 -1.1604 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2346 1.3021 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 2.7926 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 3.4482 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 2.6329 -0.9667 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 0.9515 -1.4082 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5385 3.2638 -1.3283 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3925 2.1852 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 12.1724 -1.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 12.9243 -2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 14.3589 -2.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 15.0508 -2.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 14.3054 -1.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 12.8645 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 15.1712 -3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.2512 -3.7598 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 16.2537 -2.5376 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 15.7630 -4.6625 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 3.9812 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 15.0084 -1.0670 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8978 14.4141 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 15.4616 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 16.6644 -0.6857 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 16.4058 -1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2536 15.3087 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1755 7.8524 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 6.0007 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 8.5115 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 10.3368 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 4.1120 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8366 8.1746 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 5.6397 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 0.6139 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0257 0.0000 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5305 2.2572 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 12.3864 -2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 16.1725 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 12.2827 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 3.8639 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 3.6239 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2809 3.3441 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 13.3164 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3967 17.1754 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0684 15.0501 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 16.3027 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1889 14.4627 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 9 25 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 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 58 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M END > (644) 657 > (644) C27H21F3N10O > (644) 558.5245 > (644) FGFR-P657 > (644) Example14 > (644) FGFR > (644) <10000 > (644) WO2006101783 > (644) 2006 > (644) P > (644) TRAIN $$$$ Structure83 csChFnd70/04170815452D 62 67 0 0 0 0 0 0 0 0999 V2000 4.4864 10.0223 -2.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 8.3260 -2.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 7.4854 -1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 5.8951 -1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 5.1436 -1.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 5.9768 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 7.5618 -2.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 10.6867 -2.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 10.8305 -2.8086 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1134 5.0470 -1.3495 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5270 5.8304 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7076 7.3577 -1.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2386 7.6961 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 6.3425 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9702 5.1444 -1.0427 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8062 1.0344 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8829 0.4066 -1.0797 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7322 1.2993 -2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 2.9311 -2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 3.5432 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 2.5571 -0.1525 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9007 1.0182 -3.0988 N 0 0 3 0 0 0 0 0 0 0 0 0 12.5054 3.5829 -3.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3444 2.4525 -3.7698 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 12.4579 -3.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 13.1878 -4.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 14.7958 -4.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 15.6833 -3.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 14.9609 -2.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 13.3464 -2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 15.5839 -5.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.4531 -5.9236 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 16.6717 -4.4210 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 16.3585 -6.4883 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 3.4149 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 15.8626 -1.6700 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6347 15.3144 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4653 16.5701 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8609 17.8525 -0.8699 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 17.4434 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8362 16.5398 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9255 8.0713 -2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 5.3865 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 8.2086 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 10.2836 -2.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0822 3.9098 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7345 8.8591 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3027 6.2165 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 0.2746 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3481 0.0000 -3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5964 4.8115 -3.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 12.4971 -4.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 16.9404 -3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1616 12.7821 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 3.2525 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 2.9030 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 2.8389 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8247 14.1072 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 18.2309 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 16.3905 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 17.6411 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6975 15.5661 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 9 25 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 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 58 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M END > (645) 658 > (645) C27H21F3N10O > (645) 558.5245 > (645) FGFR-P658 > (645) Example15 > (645) FGFR > (645) <10000 > (645) WO2006101783 > (645) 2006 > (645) P > (645) TRAIN $$$$ Structure84 csChFnd70/04170815452D 54 58 0 0 0 0 0 0 0 0999 V2000 10.3024 9.1879 0.0508 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3555 7.7063 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1249 6.9248 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1822 5.4547 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4711 4.7699 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 5.5512 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6395 7.0151 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 9.9403 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9453 4.6637 0.4405 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6429 5.3393 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4382 6.7147 0.4829 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 6.9856 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 5.7446 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 4.6874 0.5727 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9395 0.9377 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 0.4047 0.6827 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 1.2496 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 2.7070 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 3.2300 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 2.3135 0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0818 0.9525 0.8013 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2890 3.3830 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 2.1330 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2893 11.5017 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0761 12.2004 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9897 13.6570 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 14.4258 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3080 13.7402 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4076 12.2835 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5346 3.1735 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4444 9.3348 1.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1870 0.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5149 14.5863 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1704 16.0288 1.9425 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 14.1583 3.3659 F 0 0 0 0 0 0 0 0 0 0 0 0 14.7402 14.3575 1.1624 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4873 9.6742 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1247 7.4596 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6942 5.0165 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5975 7.6227 -0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9991 3.6415 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5596 8.0245 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 5.6021 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2215 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 0.0000 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 4.0405 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0931 4.0070 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 11.6015 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0517 14.1989 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0296 15.5664 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 11.7495 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 2.7848 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5665 2.8280 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 2.7532 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 32 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 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 29 1 0 0 0 0 28 33 1 0 0 0 0 29 51 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 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 M END > (646) 659 > (646) C24H18F3N7O2 > (646) 493.4471 > (646) FGFR-P659 > (646) Example16 > (646) FGFR > (646) <10000 > (646) WO2006101783 > (646) 2006 > (646) P > (646) TRAIN $$$$ Structure85 csChFnd70/04170815452D 53 57 0 0 0 0 0 0 0 0999 V2000 9.7206 10.0611 0.5210 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7872 8.4587 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 7.6039 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 6.0140 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9306 5.2831 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2645 6.1374 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1971 7.7209 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 10.8611 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 5.1488 0.5216 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7558 5.8712 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 7.3584 0.3737 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 7.6422 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 6.2946 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 5.1571 0.3166 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7178 1.1495 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6268 0.5002 0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 1.3426 1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 2.9432 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 3.5810 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9622 2.6452 -0.5227 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 1.0186 2.1232 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7628 3.5498 2.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 2.3448 2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 12.5454 1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4249 13.3111 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3048 14.8822 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 15.6994 1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 14.9478 2.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8076 13.3766 2.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0090 3.5565 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 10.1974 1.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8896 15.8472 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5056 17.4056 3.1524 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9868 15.3316 4.6809 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3051 15.6396 2.4368 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 10.5970 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 8.1748 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3623 5.5667 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2424 8.3856 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 4.0423 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 8.7634 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 6.1329 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 0.4296 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 0.0000 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5919 4.7385 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4109 3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 12.6747 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 15.4760 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3264 16.9295 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7822 12.7912 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9726 3.1692 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0745 3.1734 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 3.0782 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > (647) 660 > (647) C24H18F3N7O > (647) 477.4477 > (647) FGFR-P660 > (647) Example17 > (647) FGFR > (647) <10000 > (647) WO2006101783 > (647) 2006 > (647) P > (647) TRAIN $$$$ Structure87 csChFnd70/04170815452D 52 56 0 0 0 0 0 0 0 0999 V2000 9.9747 9.1038 0.0509 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0281 7.6221 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7974 6.8404 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 5.3704 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 4.6857 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 5.4671 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 6.9310 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 9.8563 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 4.5792 0.4406 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3157 5.2547 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 6.6301 0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7134 6.9008 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0164 5.6597 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 4.6026 0.5736 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6215 0.8514 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 0.3027 0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 1.1349 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 2.6142 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 3.1473 0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 2.2328 0.5747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 0.9123 0.8013 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0823 3.2047 0.7451 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 2.2080 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9614 11.4178 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7480 12.1162 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6613 13.5730 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 14.3420 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9795 13.6565 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0795 12.1998 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2074 3.0893 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 9.2511 1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1862 14.5028 1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8413 15.9452 1.9435 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 14.0744 3.3665 F 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 14.2744 1.1632 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 9.5899 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 7.3751 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 4.9327 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 7.5389 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 3.5569 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 7.9399 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 5.5172 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 0.1456 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.0000 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3820 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 11.5173 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7235 14.1146 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7008 15.4824 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0213 11.6659 1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 2.7013 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2395 2.7436 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3773 2.6685 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 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 29 1 0 0 0 0 28 32 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > (648) 662 > (648) C23H17F3N8O > (648) 478.4355 > (648) FGFR-P662 > (648) Example19 > (648) FGFR > (648) <10000 > (648) WO2006101783 > (648) 2006 > (648) P > (648) TRAIN $$$$ Structure88 csChFnd70/04170815452D 52 56 0 0 0 0 0 0 0 0999 V2000 8.7386 10.0604 0.5290 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8068 8.4570 0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 7.6003 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5368 6.0095 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9534 5.2794 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2874 6.1354 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2185 7.7199 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8301 10.8624 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 5.1425 0.5289 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7755 5.8638 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 7.3515 0.3741 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 7.6341 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 6.2852 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3845 5.1478 0.3173 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7456 1.1392 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 0.4868 0.2916 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 1.3280 1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 2.9319 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 3.5720 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 2.6373 -0.5189 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 1.0109 2.1215 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8198 3.5305 2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3957 2.7448 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6953 12.5478 1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 13.3122 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 14.8842 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 15.7036 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6845 14.9532 2.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 13.3810 2.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0336 3.5517 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9254 10.1999 1.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8986 15.8550 3.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5127 17.4140 3.1630 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 15.3400 4.6946 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 15.6483 2.4512 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 10.5955 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3649 8.1706 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3866 5.5653 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 8.3860 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 4.0355 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 8.7556 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 6.1226 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 0.4214 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 0.0000 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 4.7272 2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5645 12.6742 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3455 15.4772 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3352 16.9345 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7952 12.7966 2.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 3.1623 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 3.1701 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 3.0730 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 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 29 1 0 0 0 0 28 32 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > (649) 664 > (649) C23H17F3N8O > (649) 478.4355 > (649) FGFR-P664 > (649) Example20 > (649) FGFR > (649) <10000 > (649) WO2006101783 > (649) 2006 > (649) P > (649) TRAIN $$$$ Structure89 csChFnd70/04170815452D 53 57 0 0 0 0 0 0 0 0999 V2000 9.4450 10.8903 0.9714 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6287 9.2494 1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 8.2716 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5004 6.6437 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0043 5.9983 1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 6.9752 1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1290 8.5964 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 11.8437 1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1784 5.6546 1.0087 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7024 6.2814 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 7.7877 0.5149 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 7.9564 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 6.5142 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3447 5.4365 0.4602 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0043 1.3067 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 0.6001 0.6465 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 1.4406 1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 3.1017 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1859 3.7994 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 2.8602 -0.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 1.0659 2.4810 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7525 3.6916 2.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 2.4196 3.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 13.5699 1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 14.2168 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6323 15.8280 0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6184 16.8027 1.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8615 16.1695 2.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 14.5599 2.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2092 4.2307 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4984 11.2838 2.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 17.2403 3.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4311 18.8077 3.4706 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8678 16.8153 5.2412 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4827 17.0919 3.0939 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 5.6574 2.9074 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6284 11.3427 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 8.7762 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4785 6.4708 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1535 9.3568 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2947 4.5291 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 9.0634 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 6.2493 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 0.5870 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 0.0000 2.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4570 3.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1133 13.4574 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 16.3299 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 18.0635 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0962 14.0670 3.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 3.7540 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2515 3.9545 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 3.7051 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > (650) 665 > (650) C24H17ClF3N7O > (650) 511.8928 > (650) FGFR-P665 > (650) Example21 > (650) FGFR > (650) <10000 > (650) WO2006101783 > (650) 2006 > (650) P > (650) TRAIN $$$$ Structure90 csChFnd70/04170815452D 50 54 0 0 0 0 0 0 0 0999 V2000 9.7877 10.1297 0.5246 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8547 8.5162 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 7.6556 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5744 6.0549 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9988 5.3189 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3420 6.1791 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2742 7.7733 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8884 10.9352 1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 5.1838 0.5251 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7955 5.9113 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5664 7.4087 0.3762 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 7.6944 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 6.3378 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 5.1924 0.3187 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7501 1.1575 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 0.5036 0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 1.3519 1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 2.9632 1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 3.6055 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 2.6632 -0.5264 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 1.0257 2.1377 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7750 3.5741 2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 2.3608 2.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7549 12.6310 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8928 13.4685 2.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7645 15.0519 2.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5116 15.8097 1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 14.9863 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4938 13.4027 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0777 3.5805 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9908 10.2668 1.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 10.6694 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3977 8.2305 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4473 5.6043 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3265 8.4425 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2678 4.0698 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 8.8235 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 6.1752 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 0.4325 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 0.0000 2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 4.7710 2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4273 3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8712 12.8784 2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 15.7013 2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 17.0493 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 15.5846 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 12.7614 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 3.1905 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1506 3.1947 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0988 3.0989 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 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 29 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > (651) 666 > (651) C23H19N7O > (651) 409.4494 > (651) FGFR-P666 > (651) Example22 > (651) FGFR > (651) <10000 > (651) WO2006101783 > (651) 2006 > (651) P > (651) TRAIN $$$$ Structure91 csChFnd70/04170815452D 43 46 0 0 0 0 0 0 0 0999 V2000 10.1938 10.4774 0.5407 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2554 8.8014 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8482 7.9148 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9144 6.2527 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3892 5.4818 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7877 6.3683 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7251 8.0237 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 11.3062 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 5.3551 0.5346 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0290 6.1175 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 7.6729 0.3877 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 7.9774 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 6.5728 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5718 5.3782 0.3251 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9195 1.1896 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 0.5147 0.2887 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 1.3978 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 3.0694 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 3.7322 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 2.7515 -0.5582 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 1.0631 2.2080 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8465 3.7069 2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9902 2.4504 2.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2108 13.1013 1.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4627 3.6770 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4824 10.6072 1.8907 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3269 11.0430 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 8.5167 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 5.7666 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8207 8.7133 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 4.1981 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 9.1520 0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 6.4103 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6773 0.4352 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 0.0000 2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 4.9496 2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5224 3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 13.4023 2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2424 13.5571 2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 13.6431 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4202 3.2746 -0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5755 3.2703 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 3.1807 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 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 M END > (652) 667 > (652) C18H17N7O > (652) 347.3786 > (652) FGFR-P667 > (652) Example23 > (652) FGFR > (652) <10000 > (652) WO2006101783 > (652) 2006 > (652) P > (652) TRAIN $$$$ Structure92 csChFnd70/04170815452D 38 41 0 0 0 0 0 0 0 0999 V2000 2.6474 10.4720 0.3989 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 8.7597 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 7.8990 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 6.1980 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 5.3619 -1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 6.2224 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 7.9142 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8405 5.3267 -0.6655 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3556 6.2110 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 7.8724 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1665 8.2763 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0786 6.8275 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 5.5021 -0.3407 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8900 1.0320 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0534 0.3850 -0.4309 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9280 1.3815 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5799 3.1425 -1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3289 3.7710 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5246 2.6749 0.6242 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1809 1.1029 -2.6688 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7177 3.8936 -2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6415 2.6113 -3.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 3.5145 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 11.0602 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 11.0743 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 8.5519 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 5.5699 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.5834 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 4.1026 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6757 9.5499 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 6.7209 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 0.1843 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6720 0.0000 -2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7996 5.2239 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6034 2.7482 -4.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 2.7112 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.2591 -2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 3.2372 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > (653) 668 > (653) C16H15N7 > (653) 305.3414 > (653) FGFR-P668 > (653) Example24 > (653) FGFR > (653) <10000 > (653) WO2006101783 > (653) 2006 > (653) P > (653) TRAIN $$$$ Structure93 csChFnd70/04170815452D 70 75 0 0 0 0 0 0 0 0999 V2000 10.1580 10.5162 0.5447 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2280 8.8414 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 7.9478 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 6.2862 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 5.5225 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7725 6.4157 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7017 8.0707 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3002 11.3526 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 5.3816 0.5463 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 6.1362 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7772 7.6903 0.3899 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 7.9865 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 6.5779 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5622 5.3894 0.3310 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9331 1.2007 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 0.5223 0.3068 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 1.4030 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 3.0758 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 3.7423 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 2.7638 -0.5434 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 1.0646 2.2204 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8423 3.7101 2.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 2.4508 2.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1612 13.1130 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3418 13.9814 2.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2064 15.6330 2.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8972 16.4178 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7278 15.5571 0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 13.9126 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4611 3.7181 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4448 10.6593 1.9015 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 16.4171 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 16.8567 -1.3558 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9775 15.4014 0.2302 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9744 17.7916 1.1226 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3852 16.5083 3.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6526 15.4476 3.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9646 16.4589 4.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2616 17.4128 5.9241 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9940 18.4735 5.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6822 17.4622 4.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5010 18.3332 6.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2899 11.0760 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6777 8.5442 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9199 5.8195 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7938 8.7656 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 4.2253 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 9.1582 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 6.4087 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6961 0.4481 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1484 0.0000 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 4.9525 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5200 3.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3576 13.3693 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7935 17.7044 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 13.2444 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4233 3.3123 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5747 3.3184 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4451 3.2185 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1464 14.6254 4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1647 14.7652 2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8891 15.6725 5.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4932 17.2582 3.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 19.1558 6.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5004 19.2956 4.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 18.2486 4.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1535 16.6629 5.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0930 19.1420 5.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9482 19.0282 7.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3816 17.5124 7.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 24 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 38 39 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 M END > (654) 669 > (654) C29H28F3N9O > (654) 575.5951 > (654) FGFR-P669 > (654) Example25 > (654) FGFR > (654) <10000 > (654) WO2006101783 > (654) 2006 > (654) P > (654) TRAIN $$$$ Structure71 csChFnd70/04170815452D 73 78 0 0 0 0 0 0 0 0999 V2000 7.7650 11.3710 0.5568 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8147 9.5587 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5281 8.5911 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 6.7929 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 5.9669 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 6.9340 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1482 8.7250 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2530 12.2831 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 5.8134 2.0351 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8412 6.6281 2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5896 8.3091 2.8014 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 8.6277 3.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 7.1027 3.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 5.8182 3.4182 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3193 1.2795 2.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 0.5510 3.8422 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 1.5102 5.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 3.3207 5.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 4.0357 3.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 2.9711 2.2759 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 1.1507 6.8350 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9838 4.0145 6.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4806 2.6552 7.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 14.1890 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7360 15.1377 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6744 16.9166 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 17.7611 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 16.8287 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6052 15.0488 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3344 17.9427 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7522 16.8145 1.1801 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 19.1367 -0.0790 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3837 18.8296 2.8688 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0347 19.7050 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 4.0141 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 11.5384 0.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3418 20.5287 -0.2481 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 22.4016 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 23.2264 -1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3825 22.3981 -3.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7304 20.5252 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 19.7004 -1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6897 23.2220 -4.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 11.9720 0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 9.2360 1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 6.2892 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 9.4773 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4058 4.5631 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 9.8946 3.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 6.9179 4.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 0.4603 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 0.0000 7.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 5.3612 7.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7357 9.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9719 14.4800 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3311 17.4956 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4099 14.3225 0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 20.0909 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 20.1137 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 3.5659 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 3.5864 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3863 3.4776 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 22.6156 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 22.9881 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 24.6093 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 23.0432 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 19.9387 -4.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 20.3112 -3.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 18.3176 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 19.8838 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0570 23.1029 -5.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9009 22.5840 -5.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3391 24.5901 -4.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 8 24 1 0 0 0 0 8 36 2 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 55 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 34 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 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 34 37 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 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 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 M END > (655) 670 > (655) C30H30F3N9O > (655) 589.6219 > (655) FGFR-P670 > (655) Example3 > (655) FGFR > (655) <10000 > (655) WO2006101783 > (655) 2006 > (655) P > (655) TRAIN $$$$ Structure72 csChFnd70/04170815452D 76 81 0 0 0 0 0 0 0 0999 V2000 7.7126 11.2952 0.5534 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7621 9.4951 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 8.5338 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 6.7476 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8702 5.9274 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1405 6.8881 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0868 8.6671 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1907 12.2014 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 5.7748 2.0217 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8154 6.5838 2.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5652 8.2538 2.7827 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 8.5699 3.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 7.0551 3.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 5.7794 3.3954 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3038 1.2711 2.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 0.5475 3.8164 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 1.5001 5.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 3.2985 5.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 4.0087 3.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 2.9513 2.2606 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 1.1430 6.7893 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9773 3.9876 6.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 2.6373 7.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1347 14.0946 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 14.9479 0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 16.7138 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 17.6394 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 16.8019 1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6629 15.0358 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8039 17.6374 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 16.4399 1.0913 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6703 18.4999 2.8143 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 18.8295 -0.1112 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2502 17.8205 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9296 3.9877 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5698 11.4618 0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7733 17.9525 3.1201 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5209 18.6666 3.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9768 18.8784 5.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 17.1979 6.0448 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1089 16.4839 5.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6531 16.2719 3.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3795 17.3299 7.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9372 15.6513 8.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 11.8921 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4504 9.1746 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 6.2476 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 9.4145 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 4.5328 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 9.8284 3.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 6.8716 4.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 0.4574 1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 0.0000 7.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 5.3253 7.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7172 9.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 14.2270 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 19.0220 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8907 14.3834 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2585 17.1720 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0462 19.1081 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2287 3.5426 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 3.5629 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 3.4547 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4385 17.7932 2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5729 19.9177 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2864 19.3729 5.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0804 19.7789 5.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0568 15.2326 6.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1912 17.3572 6.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3433 15.7774 3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5495 15.3713 3.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7641 17.5557 7.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6983 18.3977 8.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5528 15.4253 8.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6185 14.5835 8.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3255 15.7491 10.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 8 24 1 0 0 0 0 8 36 2 0 0 0 0 9 10 1 0 0 0 0 9 49 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 56 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 57 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 58 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 34 37 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 44 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 M END > (656) 671 > (656) C31H32F3N9O > (656) 603.6487 > (656) FGFR-P671 > (656) Example4 > (656) FGFR > (656) <10000 > (656) WO2006101783 > (656) 2006 > (656) P > (656) TRAIN $$$$ Structure73 csChFnd70/04170815452D 80 86 0 0 0 0 0 0 0 0999 V2000 7.3077 11.1531 0.6350 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4019 9.4170 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 8.4490 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 6.7267 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 5.9769 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8035 6.9442 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7061 8.6597 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7111 12.0646 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 5.7471 1.9905 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6560 6.4851 2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 8.0899 2.7394 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 8.3490 3.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 6.8642 3.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 5.6662 3.3031 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3349 1.3203 2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 0.5934 3.6593 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 1.4902 4.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 3.2329 4.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 3.9491 3.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 2.9495 2.1825 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 1.1144 6.5305 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9641 3.8688 6.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 2.5438 7.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 13.8889 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 14.6706 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 16.3729 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4014 17.3100 1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 16.5440 1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0576 14.8340 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2897 17.2133 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 16.0194 1.1841 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 18.0279 2.8726 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 18.3729 0.0504 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 4.1067 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0616 11.3865 0.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3992 17.4967 1.4351 N 0 0 3 0 0 0 0 0 0 0 0 0 12.8883 16.4432 1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4406 17.4974 1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5284 18.9031 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9362 19.9454 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4277 18.8203 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9763 19.9625 0.7155 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5416 19.0288 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6012 19.9811 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8822 21.7712 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0100 21.4253 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 11.7014 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 9.0348 1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8213 6.3586 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 9.4125 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 4.5505 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 9.5479 3.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6497 4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 0.5528 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 0.0000 6.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 5.1567 6.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 2.5968 8.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9318 13.9430 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 18.6420 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2601 14.2363 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0461 3.6690 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0079 3.7317 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1425 3.5663 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8127 15.4518 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9636 15.9004 0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3742 18.0267 2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5469 16.7192 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6435 18.3744 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8463 20.5133 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9678 20.9162 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5099 18.2664 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2911 19.5554 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2034 18.9609 1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2750 17.7789 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9103 19.9728 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4362 19.4556 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4216 22.4636 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0724 22.4266 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3872 21.1404 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4235 22.4910 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 7 50 1 0 0 0 0 8 24 1 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 58 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 59 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 29 60 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 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39 68 1 0 0 0 0 40 41 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 46 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 M END > (657) 672 > (657) C33H34F3N9O > (657) 629.6865 > (657) FGFR-P672 > (657) Example5 > (657) FGFR > (657) <10000 > (657) WO2006101783 > (657) 2006 > (657) P > (657) TRAIN $$$$ Structure74 csChFnd70/04170815452D 64 69 0 0 0 0 0 0 0 0999 V2000 6.4456 11.1077 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 9.4851 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8718 8.2362 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 6.7162 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 6.4379 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7184 7.6773 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 9.1988 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 11.3548 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 12.3131 -0.0236 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3296 5.4631 -0.6679 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8814 5.5843 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5116 6.7659 0.5226 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 6.4773 0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3791 5.0724 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 4.4914 -0.4824 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4919 0.7441 -1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 0.2646 -2.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6188 1.1466 -3.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 2.6033 -2.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8288 3.0623 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 2.1008 -0.8515 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7634 0.9808 -4.2634 N 0 0 3 0 0 0 0 0 0 0 0 0 12.2267 3.2938 -3.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7155 2.2692 -4.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0372 13.8402 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 15.0793 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 16.5858 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 16.8632 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 15.6252 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4985 14.1179 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 17.9301 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4168 17.3511 -1.7495 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 18.8886 0.2426 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 18.7985 -2.0725 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 19.0374 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 20.4815 -0.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1442 20.8121 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2943 19.5263 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 18.3952 0.3427 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7240 18.2216 -1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 7.3989 0.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 8.7296 0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 8.4527 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 5.2531 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 10.1630 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 12.1222 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 4.5088 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8501 7.2447 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 4.5060 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5336 0.0000 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8842 0.0828 -4.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7466 4.4129 -2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7103 2.4357 -5.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 14.8637 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 15.8413 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 13.1549 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 21.9182 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 19.4086 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 17.5718 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 17.4175 -2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1427 19.0859 -2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.3440 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 9.3839 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 9.4760 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 10 1 0 0 0 0 5 6 2 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 45 1 0 0 0 0 9 25 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 57 1 0 0 0 0 38 39 1 0 0 0 0 38 58 1 0 0 0 0 40 59 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 41 42 1 0 0 0 0 42 62 1 0 0 0 0 42 63 1 0 0 0 0 42 64 1 0 0 0 0 M END > (658) 673 > (658) C28H22F3N9O2 > (658) 573.5361 > (658) FGFR-P673 > (658) Example6 > (658) FGFR > (658) <10000 > (658) WO2006101783 > (658) 2006 > (658) P > (658) TRAIN $$$$ Structure75 csChFnd70/04170815452D 63 68 0 0 0 0 0 0 0 0999 V2000 9.7287 10.0693 0.5217 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7955 8.4656 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4521 7.6102 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5233 6.0192 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 5.2877 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 6.1428 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2066 7.7274 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8224 10.8700 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 5.1533 0.5224 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7613 5.8761 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5334 7.3643 0.3739 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 7.6482 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 6.2997 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 5.1613 0.3169 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7246 1.1510 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 0.5010 0.2905 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 1.3438 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 2.9455 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 3.5842 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 2.6477 -0.5217 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 1.0194 2.1225 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7647 3.5524 2.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 2.3463 2.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6896 12.5556 1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4321 13.3210 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3079 14.8936 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 15.7163 1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6811 14.9653 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8166 13.3862 2.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 15.7174 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9835 14.6528 -0.4793 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 16.4777 1.3979 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4637 16.7866 -0.8465 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 3.5601 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9183 10.2059 1.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 15.8057 3.1076 N 0 0 3 0 0 0 0 0 0 0 0 0 12.8311 17.3489 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0645 17.7037 4.1044 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8676 16.4234 4.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1033 15.2237 3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3630 16.3408 5.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8977 10.6054 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 8.1814 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3727 5.5717 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2524 8.3926 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 4.0461 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 8.7702 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 6.1378 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4553 0.4306 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 0.0000 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 4.7418 2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4122 3.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 12.6824 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3222 16.9471 1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7921 12.8006 2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9815 3.1724 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0840 3.1768 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0449 3.0813 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9702 18.1484 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4461 14.0328 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1306 16.1817 6.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0386 15.3771 4.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0014 17.4041 5.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 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 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 24 1 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 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 30 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 29 55 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 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 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 59 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 M END > (659) 674 > (659) C28H22F3N9O > (659) 557.5367 > (659) FGFR-P674 > (659) Example7 > (659) FGFR > (659) <10000 > (659) WO2006101783 > (659) 2006 > (659) P > (659) TRAIN $$$$ Structure76 csChFnd70/04170815452D 63 68 0 0 0 0 0 0 0 0999 V2000 4.4658 10.0674 -2.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3938 8.3707 -2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 7.5255 -1.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 5.9345 -1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 5.1871 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 6.0246 -1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 7.6102 -2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 10.7285 -2.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1316 10.8801 -2.8054 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0754 5.0819 -1.3460 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4914 5.8610 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6766 7.3881 -1.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2084 7.7214 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0132 6.3648 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9319 5.1705 -1.0333 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7565 1.0585 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8331 0.4297 -1.0751 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6852 1.3215 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 2.9520 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2492 3.5665 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4603 2.5809 -0.1433 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 1.0292 -3.0940 N 0 0 3 0 0 0 0 0 0 0 0 0 12.5019 3.6107 -3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3344 2.4040 -3.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 12.5079 -3.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 13.2428 -4.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1685 14.8513 -4.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 15.7343 -3.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 15.0068 -2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 13.3918 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 15.6450 -5.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.5182 -5.9213 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 16.7334 -4.4133 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 16.4202 -6.4776 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 17.4856 -1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 17.8888 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 16.6032 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6238 15.3505 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 15.9039 -1.6500 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1666 3.4578 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8249 16.5666 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 8.1082 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 5.4373 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 8.2607 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 10.3361 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 3.9447 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 8.8829 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2674 6.2346 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0837 0.2981 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2869 0.0000 -3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 4.8324 -3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 2.5024 -4.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 12.5557 -4.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3241 16.9917 -3.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 12.8235 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 18.2773 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 14.1417 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 3.2930 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 2.9498 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 2.8795 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3978 16.6990 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4394 15.4497 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 17.5249 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 9 25 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 39 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 40 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 M END > (660) 675 > (660) C28H22F3N9O > (660) 557.5367 > (660) FGFR-P675 > (660) Example8 > (660) FGFR > (660) <10000 > (660) WO2006101783 > (660) 2006 > (660) P > (660) TRAIN $$$$ Structure77 csChFnd70/04170815452D 77 82 0 0 0 0 0 0 0 0999 V2000 7.1211 9.7909 -2.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1679 8.0653 -2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 7.3259 -2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6399 5.7068 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 4.8227 -1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8262 5.5549 -2.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 7.1732 -2.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3328 10.5675 -2.6429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 10.5021 -3.0685 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0752 4.9637 -1.4016 N 0 0 3 0 0 0 0 0 0 0 0 0 11.2371 5.7808 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0919 7.2055 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4532 7.6159 0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4875 6.4152 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7265 5.2384 -0.2538 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1547 1.0537 -0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5464 0.9008 -1.5205 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4320 2.1679 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8460 3.6746 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3571 3.7764 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5619 2.4435 -0.4237 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8855 2.3930 -2.5179 N 0 0 3 0 0 0 0 0 0 0 0 0 16.0575 4.8147 -1.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2456 3.9769 -2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6678 12.1505 -3.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 12.8323 -4.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 14.4606 -4.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5239 15.4123 -3.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 14.7375 -2.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 13.1095 -2.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 15.2013 -5.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 14.0088 -6.3869 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 16.1907 -4.7957 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 16.0916 -6.7239 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4726 4.6848 -2.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 5.5149 -2.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 17.1888 -3.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 17.7981 -2.8101 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 19.5366 -2.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 20.1285 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 19.4190 -0.2627 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5335 17.6804 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 17.0884 -1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 20.0281 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 19.0582 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6799 8.0130 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2858 3.5620 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 7.7418 -2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 9.8707 -3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2577 3.8756 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 8.7233 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6865 6.3786 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4661 0.0000 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5624 1.5547 -2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0066 6.0863 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3241 4.4766 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 12.0897 -5.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3311 15.4841 -1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 12.5831 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 6.0732 -3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 4.6833 -2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 6.4214 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 17.7132 -3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 17.4973 -4.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 19.9052 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 20.0345 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 21.4154 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 19.7878 -2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 17.1824 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 17.3117 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 15.8016 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 17.4292 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 21.2670 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 19.9324 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 17.8194 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 19.1540 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 19.5103 2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 48 1 0 0 0 0 9 25 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 50 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 52 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 30 1 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 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 44 45 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 M END > (661) 676 > (661) C31H32F3N9O2 > (661) 619.6481 > (661) FGFR-P676 > (661) Example9 > (661) FGFR > (661) <10000 > (661) WO2006101783 > (661) 2006 > (661) P > (661) TRAIN $$$$ Structure365 csChFnd70/04170815452D 74 78 0 0 0 0 0 0 0 0999 V2000 7.5811 9.1688 0.5777 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1387 7.4822 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7163 7.1566 0.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 6.1560 0.2649 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5543 4.3226 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 3.1064 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.9303 -1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.8102 -1.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.8719 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 1.0488 1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4433 2.1607 1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 3.8550 -3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 3.3140 -9.1018 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3452 4.6929 -8.7787 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 5.4498 -7.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 4.5460 -6.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 4.7609 -4.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 3.6546 -4.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.3323 -5.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 2.1088 -7.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 3.2073 -7.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 2.1629 -10.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 2.9828 -12.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 1.8602 -13.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 0.1308 2.7793 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 12.2954 0.9000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0536 13.2125 0.9754 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3451 12.0627 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6089 10.3709 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 10.5411 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 13.0493 1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 14.5068 2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 14.5468 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 12.3449 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7858 15.2512 2.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6907 13.0953 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 15.3619 1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2962 12.4906 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 12.3520 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5686 14.3760 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2652 11.1783 2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3224 9.4290 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 6.4157 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3345 4.2057 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3686 3.9549 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 1.6722 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 0.0000 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 2.2972 2.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5508 -6.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 5.7855 -4.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 1.4752 -5.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5224 1.0797 -8.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 0.8632 -10.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 2.0223 -11.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1824 4.2826 -12.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 3.1236 -11.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 2.2987 -14.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3362 9.1459 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 15.0574 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5799 11.2117 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 16.3846 3.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 12.5476 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 16.3906 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 14.3419 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 15.9428 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8418 11.0090 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3455 13.2870 -1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4470 12.6616 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8783 15.3110 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0416 14.4746 2.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9800 14.6854 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6765 11.4878 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7383 11.2771 3.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0711 9.8352 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 42 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 48 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 38 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 31 32 1 0 0 0 0 31 34 2 0 0 0 0 32 35 2 0 0 0 0 32 59 1 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 M END > (662) 677 > (662) C31H33FN6O3 > (662) 556.6385 > (662) FGFR-P677 > (662) Compound72 > (662) FGFR1 > (662) 28 > (662) WO2007089646 > (662) 2007 > (662) P > (662) TEST $$$$