Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 65 68 0 0 0 0 0 0 0 0999 V2000 -1.8238 1.2967 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 1.5641 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9774 0.7128 1.3152 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.7105 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -1.0459 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9802 -0.1803 -1.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 -2.5017 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -2.8231 -1.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 -3.4465 0.0208 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 -4.8144 -0.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -1.5461 2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 -1.1955 2.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 -2.6831 2.4936 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5057 -3.0706 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4961 -3.3918 3.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -4.3932 3.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 -3.8739 4.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6334 -3.5724 3.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 -4.8327 4.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 -5.7843 5.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 -6.2125 6.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6805 -5.6951 6.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0438 -4.7477 5.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1262 -4.3151 4.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 2.1679 -2.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 3.6200 -1.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 3.9278 -0.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6171 4.5767 -2.6909 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 6.0246 -2.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 6.7233 -3.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 5.6591 -4.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 4.3443 -3.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 1.5345 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 2.6118 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6076 1.3395 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 0.9289 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 -0.9245 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -0.8451 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 -0.4089 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -0.3848 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -3.1894 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -5.4167 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -2.2474 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 -3.9514 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -2.4840 3.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 -3.7863 2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9419 -2.9593 5.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -4.6180 5.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -4.5034 3.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 -3.0830 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -6.1890 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1178 -6.9526 7.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4001 -6.0320 7.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0462 -4.3457 5.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4105 -3.5749 4.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 1.9112 -3.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 1.9951 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 6.3444 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 6.2656 -2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 7.6277 -3.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 6.9508 -4.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 5.6899 -3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 5.7873 -5.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6844 4.1564 -4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0535 3.5071 -3.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 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 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 601703 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "6, diastereomeric mixture" > 2009 > 601703 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "6, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 0 0 0 0 0999 V2000 -0.2933 1.3209 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -1.4980 -0.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 -1.7106 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1848 -2.6245 -2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3557 -3.3359 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9506 -2.2164 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.8819 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 1.2666 -0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 -0.1868 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -0.8095 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 -0.1981 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 -2.2983 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 -0.7714 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -2.7481 -1.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -3.1299 0.5814 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -4.5288 0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 -0.5880 1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7865 -3.7573 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0904 -5.0891 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4023 -5.4750 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4102 -4.5290 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1062 -3.1971 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7945 -2.8114 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 1.9460 -1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 3.4244 -1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 4.1864 -1.8549 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 3.9284 -0.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 5.6342 -1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 6.0746 -2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 4.9534 -3.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 3.7052 -2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.5553 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 -0.7558 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -2.1936 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0684 -2.0333 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9781 -3.3487 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6821 -4.1887 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6092 -2.6464 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7886 -1.5410 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 2.9616 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 1.6592 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 1.4908 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 -0.3998 -1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.6087 1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.4320 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -0.6071 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -2.7702 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -5.0429 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 -5.8282 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6398 -6.5156 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4352 -4.8305 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8937 -2.4581 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -1.7709 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 1.4795 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.7887 -2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 6.1582 -1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 5.8477 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8973 7.0393 -3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 6.1117 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 5.1324 -4.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 4.8551 -4.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 3.3291 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 2.9286 -3.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 1 7 1 0 0 0 0 1 32 1 0 0 0 0 2 13 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 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 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > 681997 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 4 > 2009 > 681997 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 4 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.6921 0.2077 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 0.0500 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0545 -1.0379 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0844 0.1625 0.9754 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 1.1939 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 1.3473 2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0621 -0.0052 2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -0.3101 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 0.9361 -0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 0.3484 -0.8316 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 0.2092 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 -0.7913 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -0.2587 1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 -0.9681 2.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -0.2815 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -0.2382 3.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -1.9373 2.7455 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -2.1739 3.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -1.0760 -0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 0.1462 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 -0.6069 3.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7389 -0.4721 3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 0.4155 2.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5055 1.1680 1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1308 1.0342 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 0.0887 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 0.9420 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.9763 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -1.1229 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 2.1394 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 0.8832 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 2.1759 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 1.4841 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7765 -0.7746 3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 -1.3815 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0317 0.2337 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 0.9929 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 1.9359 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -0.5380 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 1.1779 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 -1.7501 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 0.6514 2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 -1.0122 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8482 -2.4728 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9439 -2.8385 3.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 -1.3004 3.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -1.0601 3.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3833 0.5213 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9512 1.8620 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 1.6224 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 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 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 M END > 522927 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > 1 > 2009 > 466550 > Matrix metalloproteinase-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 18 > 2007 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 0.3689 -2.1132 3.0593 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 -2.9753 2.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -3.2066 2.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -2.5717 4.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 -1.8437 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5431 -1.2966 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -2.4679 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -2.1481 1.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 -1.9411 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3513 -0.7541 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -1.0369 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1222 -0.5556 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -1.6587 2.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -1.1403 -0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 0.2717 1.1187 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 0.4583 0.8878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -1.0224 3.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -0.1093 0.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4507 0.1024 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 1.1861 0.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0669 -0.6835 -0.8669 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4850 1.5373 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7393 2.8659 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 3.4800 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4495 2.2121 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.5710 4.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 -1.9844 4.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 -1.9821 5.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 -2.5602 6.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.1438 7.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -3.1519 6.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 -3.9263 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 -2.4808 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -3.8058 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 -0.7734 4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -2.2165 5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0434 -1.5399 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7408 -2.6462 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -3.3621 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -1.3450 2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -2.8378 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 0.1457 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 -1.9142 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -0.1759 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 0.7394 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 1.0690 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6848 1.6634 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1246 0.7554 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3953 3.5135 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1572 2.6806 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 3.9987 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2468 4.1465 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4709 1.9051 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4245 2.3979 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 -1.5335 3.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 -1.5284 5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 -2.5561 7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 -3.5937 8.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -3.6079 6.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 18 1 0 0 0 0 6 11 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 M END > 681972 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 17 > 2009 > 681972 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 17 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 -0.0132 1.5133 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 2.0501 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 3.5799 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 4.0723 1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 3.5354 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 2.0057 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4917 4.0284 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 4.7391 -0.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7781 3.6794 -0.1379 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 4.1425 -1.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 3.5794 2.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 2.8277 2.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 3.9739 3.7152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0532 4.9699 3.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 6.0677 4.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 5.4558 6.0734 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 4.5745 5.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 3.4154 4.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 6.4318 7.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 6.0594 8.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 7.0273 9.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 8.3658 8.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 8.7400 7.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 7.7774 6.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -0.0164 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -0.5033 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 0.2946 -2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -1.8255 -1.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -2.3155 -2.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 -3.2725 -2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.3765 -1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 -3.7558 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.8042 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8698 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 1.6936 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 1.6993 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 3.9623 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 3.9364 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 5.1621 1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 3.8863 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 1.6233 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 1.6492 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2316 3.1110 0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 3.8403 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 5.4051 2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 4.4925 4.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 6.6121 4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 6.7558 5.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 5.1396 5.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 4.1796 6.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 2.7925 5.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 2.8190 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 5.0142 8.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 6.7384 10.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 9.1207 9.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 9.7863 7.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 8.0703 5.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 -0.3714 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -0.3991 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 -2.8433 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.4739 -3.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -3.7173 -3.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -2.7224 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1391 -4.9102 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -5.0727 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -4.5446 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -3.2012 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0155 -2.2849 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -3.3727 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 601918 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > 18 > 2009 > 601918 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > 18 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 53 56 0 1 0 999 V2000 -0.9515 1.1000 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 0.9423 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 -0.1065 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 1.8836 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 1.3073 -0.8016 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 1.0910 0.4513 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6926 0.0392 1.2997 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2953 0.5539 1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -0.2152 2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 0.6151 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4428 0.5844 3.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -1.3314 2.6724 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8556 1.1103 0.8231 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 -0.2136 -0.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 -1.5215 3.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 0.7537 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 0.2099 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 1.2331 2.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 1.4596 3.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6477 2.0220 1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 0.7163 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 1.4837 4.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2701 1.0096 5.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9591 -0.2318 6.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9681 -0.9989 5.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2855 -0.5229 4.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 0.9242 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 1.8739 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -1.0760 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3773 -0.1263 -1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 1.9983 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 2.8561 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 0.4511 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 2.0279 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 -0.8870 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 1.4265 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -0.2306 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2031 -2.0044 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -2.3201 3.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 -0.0102 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 1.6385 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 -0.7246 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 0.0316 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 2.1750 2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9388 0.5134 3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 2.1708 4.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0405 3.0082 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5825 2.0952 2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8334 2.4536 4.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0442 1.6089 6.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4905 -0.6025 7.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7254 -1.9689 6.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 -1.1222 4.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 M END > 466517 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 12 > 2007 > 466517 > Matrix metalloproteinase-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 12 > 2007 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 65 0 0 0 0 0 0 0 0999 V2000 -0.3770 1.5825 -3.7699 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 2.1266 -2.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 3.0485 -3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 3.1385 -4.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 2.3561 -5.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 1.1386 -5.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 1.5560 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0019 2.7777 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 2.3772 -2.1373 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 1.8462 -2.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1336 0.5967 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 0.9607 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 0.0646 -1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 1.4884 -3.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 0.4453 -0.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 -0.8344 -2.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -1.3343 -1.9205 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 1.1157 -4.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4969 1.9599 1.4431 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7454 2.9601 2.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6113 1.4114 1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 1.8269 3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 0.5834 1.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 3.3292 3.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3602 1.0600 3.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 4.0741 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 3.8493 -5.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 4.7232 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 5.8208 -6.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 6.0496 -6.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 5.1827 -6.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 2.6800 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 1.3096 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 3.6694 -2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 2.9938 -6.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 2.0210 -6.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 0.3798 -4.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 0.7292 -5.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7184 0.8102 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 3.1955 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 3.5284 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 1.7100 -2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 2.6012 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 -0.1639 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 1.6926 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 0.0649 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -1.1389 -2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 -1.9735 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 3.9550 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 2.7673 3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 2.9022 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3109 1.6036 4.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1477 3.5525 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7164 3.6297 4.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4653 3.8756 3.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1536 -0.0102 3.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7023 1.3606 4.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1336 1.2833 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 2.9932 -4.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 4.5504 -5.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 6.5022 -6.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 6.9085 -7.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 5.3624 -6.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > 681933 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 11 > 2009 > 681933 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 11 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.6674 2.1041 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.8312 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 0.3247 1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 0.0184 1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.2913 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1227 1.7978 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2924 0.9896 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 -0.1330 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0894 1.9672 -0.1116 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 1.6837 -0.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -0.4805 2.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 0.3073 3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.8022 2.7094 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 -2.3190 3.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 -3.2448 4.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 -4.2727 3.8046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -3.6742 2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -2.7655 1.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -5.2315 4.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 -6.2936 3.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 -7.2430 4.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 -7.1373 6.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -6.0812 6.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -5.1283 5.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 2.4650 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 2.8683 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 1.0494 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 0.0671 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 1.0889 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -0.5821 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 -0.7458 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 2.0554 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 1.0336 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 2.7046 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 2.8650 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 2.4470 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -2.8780 3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -1.4888 4.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -3.7229 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -2.6627 5.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 -4.4637 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -3.0861 3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -2.2303 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -3.3682 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0003 -6.3767 2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -8.0689 4.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -7.8809 6.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -6.0016 7.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0466 -4.3040 6.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 M END > 601772 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > 10 > 2009 > 601772 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > 10 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 0 0 0 0 0999 V2000 -0.0353 1.3708 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9947 -0.5025 -0.5483 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 -1.1425 -1.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9125 -1.9213 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6926 -2.1408 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3906 -0.8293 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 2.0245 -0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 1.8311 -0.2753 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7174 0.4048 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -0.2972 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -0.1233 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -1.7649 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1597 0.2530 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 -2.2039 0.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -2.5895 1.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -3.9685 1.7106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5689 0.8107 1.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1693 -2.2885 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8297 -3.4371 -0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1854 -3.5702 -1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8808 -2.5545 -1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2206 -1.4056 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8646 -1.2731 -1.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 1.5458 -0.1522 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 1.0060 -1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 2.2034 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 2.4765 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 2.5719 1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.7491 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 3.0031 -1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 2.9880 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 2.7181 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 2.4686 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 1.8365 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -0.3827 -2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8266 -1.8290 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -1.3254 -2.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6326 -2.8759 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3056 -3.0028 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 -0.9826 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0549 -0.0333 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 3.0910 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 1.5675 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 2.2793 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 -0.0445 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 0.1424 1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -0.5969 -0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -0.5846 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 -2.2383 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -4.4790 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2864 -4.2305 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7012 -4.4678 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9399 -2.6588 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7638 -0.6124 -2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3488 -0.3756 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 1.7458 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 0.7700 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 0.1005 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 2.7608 -1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2499 3.2138 -2.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1505 3.1875 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7884 2.7075 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 2.2583 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 1 7 1 0 0 0 0 1 34 1 0 0 0 0 2 13 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 22 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 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 33 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 681886 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 7 > 2009 > 681886 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 7 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 0 0 0 0 0999 V2000 1.2661 0.8838 1.1756 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 1.5922 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0864 2.7695 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 2.9965 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 1.5504 1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -2.5582 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 -2.6356 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -2.1125 0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5841 -0.7009 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 -0.5658 1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -1.1014 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 0.8855 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.1931 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 1.7472 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 1.2258 3.0286 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 2.5893 3.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -0.7535 2.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -3.0562 -0.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1088 -4.3722 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 -4.8988 -1.2167 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -5.0851 0.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4926 -6.3126 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6303 -6.4502 -2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4208 -5.2141 -3.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9396 -4.1516 -2.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 3.6149 1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 4.8293 2.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 5.3938 2.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 4.7437 1.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 3.5289 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 2.9651 1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.9184 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.9696 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9983 2.4964 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 3.6555 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 3.6070 1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 1.5544 3.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 1.0512 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -3.1632 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -3.6734 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -2.0416 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -2.6701 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 -0.1160 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8135 -1.1394 2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -0.5032 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 -1.0470 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 0.5366 3.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 2.7345 4.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 -6.9350 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8495 -6.6100 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5242 -7.3735 -2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6033 -6.4074 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6576 -5.4100 -3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -4.9093 -3.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -3.7092 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -3.3795 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 5.3372 2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 6.3429 2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 5.1851 2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9957 3.0214 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7737 2.0161 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 18 1 0 0 0 0 6 11 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > 681983 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 18 > 2009 > 681983 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 18 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 -0.4606 1.4159 -0.7578 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 -0.0549 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -0.5345 -2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 0.0806 -3.0559 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 1.5423 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 2.1070 -1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 6.0838 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 5.6869 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3817 4.2318 -0.3486 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 3.6119 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 4.0320 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 5.5594 1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 3.5146 2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 2.1118 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 2.9555 1.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 3.6732 3.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 3.1871 3.8469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 1.5308 0.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3668 5.5085 2.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4751 6.2501 2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 5.7746 3.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 7.3480 1.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7468 6.4755 3.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5823 5.5613 4.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5102 4.6423 4.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5127 4.4629 3.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -0.4561 -4.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 -0.0071 -5.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -0.5440 -6.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 -1.5274 -6.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -1.9766 -5.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -1.4441 -4.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 3.4799 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5245 4.0406 -1.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 2.2960 -1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5202 3.1707 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4691 -0.4311 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 -0.4159 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.6194 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 -0.2454 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9767 1.9635 -3.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 1.8024 -3.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 3.1754 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 1.9386 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 7.1699 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 5.9710 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 6.1908 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 3.9466 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 3.6194 2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 5.9723 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 5.8616 2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 4.1205 4.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 3.3472 4.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5409 7.4201 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2862 6.6583 2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0954 6.1473 4.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2942 4.9754 3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 5.1320 5.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9414 3.6852 5.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8646 3.6884 2.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 4.2142 4.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 0.7611 -5.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -0.1951 -7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -1.9453 -7.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 -2.7448 -6.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -1.7956 -3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4172 3.7470 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 2.7427 -2.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7691 2.3692 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 681999 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 21 > 2009 > 681999 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 21 > 2009 $$$$ Wcorina 04070615353D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 71 74 0 0 0 0 0 0 0 0999 V2000 0.1574 1.7280 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 2.1767 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 2.9687 -0.2124 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 4.1826 -0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 3.7938 -1.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 2.9611 -1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 5.0399 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 5.4244 -2.2234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 5.7270 -3.4638 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 6.8978 -4.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 4.9858 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4258 4.4203 -1.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 6.3324 -1.3984 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4755 7.1366 -2.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 8.1554 -1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 8.9254 -0.4997 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 8.0596 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 7.0368 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 9.9722 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 10.8231 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 11.8606 1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 12.0529 1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 11.2077 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 10.1683 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 0.9214 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 -0.3512 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -0.5896 0.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -1.2245 1.2497 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 3.2999 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 -2.4694 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -3.6498 1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -3.4222 1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -2.1473 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9367 -0.9526 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 1.1085 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 1.3007 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 2.7842 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 4.7806 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 3.2074 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 3.5604 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 2.6455 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 5.4194 -3.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 7.3213 -4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 7.6598 -2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 6.4866 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 8.8318 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 7.6319 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 8.6666 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 7.5375 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 6.3218 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 7.5479 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 10.6732 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 12.5222 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7486 12.8648 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 11.3607 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 9.5088 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 0.6779 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 1.5107 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 3.8171 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7108 3.9450 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 2.3833 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -2.4438 2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -2.5777 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -4.5703 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 -3.7286 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 -3.3187 2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -4.2723 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7885 -1.9985 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 -2.2403 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 -0.0604 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -0.8008 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 23 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 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 M END > 601771 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "9, diastereomeric mixture" > 2009 > 601771 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "9, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 67 70 0 0 0 0 0 0 0 0999 V2000 -0.1588 1.5224 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 2.0489 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 3.5787 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 4.0920 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 3.5656 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 2.0357 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 4.0712 -2.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 4.7825 -3.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 3.7328 -3.0245 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 4.2079 -4.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 5.5989 -1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 6.1899 -0.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 6.2897 -1.7228 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 5.5966 -2.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1092 6.2533 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 7.6988 -1.7882 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 8.3279 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 7.7563 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 8.3088 -1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4327 9.6784 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 10.2793 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 9.5192 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 8.1556 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2539 7.5483 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.0074 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 -0.5148 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 0.2700 2.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 -1.8406 1.4609 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 -2.8975 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3457 -4.2512 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 -3.8849 2.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 -2.4710 2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 -4.7954 3.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 1.8716 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.6832 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 1.6997 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 3.9279 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 3.9538 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 3.7429 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 3.9147 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1496 1.6866 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 1.6607 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 3.1639 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0791 3.9126 -4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 4.5456 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 5.6820 -3.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 6.0767 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0217 5.8257 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 8.1225 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 9.4049 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 8.0494 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 8.1327 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 10.2725 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 11.3439 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 9.9915 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 7.5648 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1215 6.4833 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1448 -0.3816 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -0.3561 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -2.8158 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -2.8123 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -4.9688 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -4.6402 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 -3.8520 3.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -2.5456 2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -1.9029 3.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 -5.7128 3.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 M END > 601916 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "16, diastereomeric mixture" > 2009 > 601916 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "16, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 67 70 0 0 0 0 0 0 0 0999 V2000 -0.1588 1.5224 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 2.0489 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 3.5787 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 4.0920 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 3.5656 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 2.0357 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 4.0712 -2.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 4.7825 -3.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 3.7328 -3.0245 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 4.2079 -4.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 5.5989 -1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 6.1899 -0.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 6.2897 -1.7228 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 5.5966 -2.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1092 6.2533 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 7.6988 -1.7882 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 8.3279 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 7.7563 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 8.3088 -1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4327 9.6784 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 10.2793 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 9.5192 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 8.1556 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2539 7.5483 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.0074 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 -0.5148 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 0.2700 2.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 -1.8406 1.4609 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 -2.3597 2.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 -3.4109 3.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -4.3771 2.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -3.8410 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 -2.8119 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 1.8716 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.6832 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 1.6997 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 3.9279 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 3.9538 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 3.7429 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 3.9147 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1496 1.6866 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 1.6607 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 3.1639 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0791 3.9126 -4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 4.5456 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 5.6820 -3.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 6.0767 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0217 5.8257 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 8.1225 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 9.4049 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 8.0494 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 8.1327 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 10.2725 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 11.3439 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 9.9915 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 7.5648 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1215 6.4833 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1448 -0.3816 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -0.3561 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 -2.8170 2.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -1.5452 3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 -3.9062 4.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -2.9266 3.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0503 -4.6457 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 -3.3582 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -2.2967 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 -3.3155 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END > 601842 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "15, diastereomeric mixture" > 2009 > 601842 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "15, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 53 57 0 1 0 999 V2000 -0.7150 0.2412 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 0.1873 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -0.8564 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 1.2538 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 0.7881 -1.0457 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 0.5110 0.2209 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9493 -0.6547 0.9398 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5048 -0.2643 1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.9668 2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 0.1547 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4628 -0.3347 3.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 -1.9485 2.2289 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 0.6546 0.7192 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3431 -0.5820 -0.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 -2.1753 3.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 1.4569 1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.9730 3.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 0.9296 2.6938 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 -0.1188 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4648 0.3915 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9393 0.8050 3.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0007 1.1684 4.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1905 0.9366 5.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2824 0.3692 5.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2362 -0.0095 3.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0552 0.2047 2.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6677 -0.1475 1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -0.0485 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 1.0358 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -1.8682 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -0.7839 -1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 1.4158 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 2.1856 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.0216 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 1.3976 0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -1.5317 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 0.5526 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -1.1245 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 -2.4996 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -2.8806 3.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9397 2.5051 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 1.3501 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 1.6683 3.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2128 -0.0223 3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 -1.0773 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 -0.3642 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 1.3118 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 1.6141 5.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2653 1.2085 6.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 0.2163 5.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 -0.4535 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 -1.1415 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 0.6009 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END > 466544 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 17 > 2007 > 466544 > Matrix metalloproteinase-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 17 > 2007 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 0 0 0 0 0999 V2000 0.1791 1.7545 -3.7754 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 0.6312 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 -0.6207 -3.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -0.7043 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 0.4299 -5.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 1.5126 -5.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 4.9984 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 4.4146 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 4.1782 -2.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 3.2042 -2.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 3.7518 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 4.0184 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 2.7428 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 2.9589 -3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 1.9111 -0.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 2.7646 -1.9548 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 1.8164 -1.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 3.8454 -4.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 5.2240 1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 6.2799 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 6.6454 2.4588 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 6.8007 0.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 7.6573 2.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 7.7186 3.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 6.3380 4.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 6.1014 3.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -2.0030 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 -3.1174 -5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 -4.3254 -5.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 -4.4334 -6.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -3.3324 -6.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -2.1185 -6.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 0.8385 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 0.4982 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -1.4972 -2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 0.8582 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.0556 -6.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 1.1688 -4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 2.4317 -5.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 5.9477 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 5.1163 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 3.4723 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 5.0428 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 2.2676 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 4.6814 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 3.0823 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 4.4492 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 3.4297 -2.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 1.9110 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 5.5522 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 4.2927 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 7.3701 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 8.6285 2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 7.8352 3.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 8.5257 4.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 5.5697 4.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 6.3880 5.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 6.6318 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 5.0353 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.0345 -4.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 -5.1887 -5.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -5.3813 -7.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 -3.4233 -7.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -1.2597 -6.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > 681922 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 9 > 2009 > 681922 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 9 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 62 64 0 0 0 0 0 0 0 0999 V2000 -0.2933 1.3209 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -1.4980 -0.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 -1.7106 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1848 -2.6245 -2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3557 -3.3359 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9506 -2.2163 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.8819 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 1.2666 -0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 -0.1868 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -0.8095 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 -0.1981 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 -2.2983 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 -0.7714 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -2.7481 -1.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -3.1299 0.5814 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -4.5288 0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 -0.5880 1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7865 -3.7573 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0904 -5.0891 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4023 -5.4750 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4102 -4.5290 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1062 -3.1970 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7945 -2.8114 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 1.9195 -1.4672 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 1.7472 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 2.6286 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 3.2443 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 2.7712 0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 4.2260 -2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 3.9888 -0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.5553 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 -0.7558 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -2.1936 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0684 -2.0333 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9781 -3.3487 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6821 -4.1887 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6092 -2.6464 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7886 -1.5410 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 2.9616 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 1.6592 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 1.4908 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 -0.3998 -1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.6087 1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.4320 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -0.6071 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -2.7702 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -5.0429 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 -5.8282 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6398 -6.5155 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4352 -4.8305 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8937 -2.4581 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -1.7709 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 2.5612 -3.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 1.7564 -3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 0.7958 -3.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 2.4598 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 3.6956 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 5.0105 -2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 4.6713 -3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 3.2894 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 4.4341 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 4.7732 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 1 7 1 0 0 0 0 1 31 1 0 0 0 0 2 13 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 14 2 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 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 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > 681998 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 6 > 2009 > 681998 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 6 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 70 72 0 0 0 0 0 0 0 0999 V2000 -0.1759 1.4577 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 2.1508 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 3.9970 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 3.3590 -1.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 1.8358 -1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 3.7434 -3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 4.4656 -3.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 5.4973 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 6.1739 -2.4492 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 6.0958 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 5.6234 -3.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 6.5515 -4.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 7.6715 -4.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 7.6212 -2.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 9.0096 -4.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 9.7547 -5.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 10.9847 -6.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 11.4697 -5.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8681 10.7250 -4.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 9.4944 -4.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 -0.0588 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -0.4423 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.4132 2.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -2.1085 2.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -3.6250 3.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -4.0143 4.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -5.5308 4.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -5.9201 5.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9931 3.6057 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 3.2845 -3.4994 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 3.6457 -4.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 -1.7358 1.6247 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -7.3762 6.0685 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 1.7771 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 1.8951 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 1.8199 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 3.6573 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 3.7088 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 1.4816 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.3790 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 5.6041 -3.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 4.6168 -3.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 6.9719 -4.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 6.0065 -5.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 7.4542 -4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 8.0313 -2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 8.1546 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 9.3757 -5.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 11.5665 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 12.4304 -6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 11.1037 -4.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 8.9124 -3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 -0.5540 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -0.3667 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 -1.8007 3.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.6133 3.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 -4.1202 2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.9329 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 -3.5191 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 -3.7065 5.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 -6.0260 4.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -5.8387 3.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -5.4249 6.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4328 -5.6123 6.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3608 3.9426 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 2.7069 -2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 3.2687 -5.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -2.4200 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 -7.6947 5.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -7.6587 6.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 34 1 0 0 0 0 2 29 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 33 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 M END > 601702 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "4, diastereomeric mixture" > 2009 > 601702 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "4, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 66 69 0 0 0 0 0 0 0 0999 V2000 3.4381 5.1733 -2.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 4.2932 -1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 5.0005 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1347 5.4070 -3.0359 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 6.3828 -3.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 5.7321 -3.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 3.8167 1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6369 5.0935 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 5.6932 0.2725 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8578 4.7862 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 3.5002 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 2.8340 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 2.5610 -1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 5.4557 -1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 1.7277 -1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 2.6471 -2.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 1.7646 -3.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 6.2487 -2.3271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 4.1417 0.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 4.4435 1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 4.7545 0.6949 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 4.4356 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 5.1023 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9419 5.3537 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3613 4.5822 -0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8384 4.8085 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 5.9082 -3.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 6.3487 -4.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 6.8491 -4.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0154 6.9118 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4795 6.4741 -1.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1934 5.9727 -1.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 6.9928 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0768 4.0916 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4946 3.3572 -2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7037 5.8821 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5222 4.3201 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 7.2451 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 6.7047 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 4.9336 -4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 6.4783 -3.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 3.3632 2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 5.8010 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 4.8508 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 4.5449 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 3.7392 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 2.5597 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 1.9406 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 3.3136 -3.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 1.9025 -4.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2137 4.2780 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7588 6.0044 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9104 4.9455 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 6.4180 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 3.5228 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 5.0160 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5476 5.7822 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 4.0157 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 6.2997 -5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 7.1914 -5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0216 7.3032 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0675 6.5245 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7754 5.6313 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 6.8696 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 7.3822 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 7.6909 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 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 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 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 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > 681990 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 20 > 2009 > 681990 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 20 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 1 0 999 V2000 0.0473 1.1885 2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 0.8306 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -0.2759 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 1.1486 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 0.3563 -0.7429 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 0.6368 -0.1198 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7204 0.1805 1.3405 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6583 0.9771 2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 0.4232 1.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8165 -0.1012 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 1.5118 2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -0.5695 1.9947 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 0.4620 -1.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 -1.2019 -1.3231 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 -0.3117 2.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 -0.1833 -1.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4063 0.7492 -3.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5654 2.1594 -2.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 2.6051 -1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 1.7478 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 3.1102 -3.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 3.6566 -2.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 4.5436 -3.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 4.8914 -5.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4446 4.3535 -5.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 3.4607 -4.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 0.5876 -2.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 1.5269 3.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.6492 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -0.9008 2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 -0.7785 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4081 0.8930 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 2.2103 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 1.7078 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.8823 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9433 2.0286 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 0.5855 3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 -1.4606 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -1.0843 2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -0.3461 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 -1.1363 -2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 0.4228 -3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 0.7089 -3.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 3.6446 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 2.2527 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 1.5738 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 3.3861 -2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 4.9675 -3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1773 5.5862 -5.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 4.6294 -6.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 3.0415 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 1.6537 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 0.0446 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 0.2363 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 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 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > 466558 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 21 > 2007 > 466558 > Matrix metalloproteinase-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 21 > 2007 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 0 0 0 0 0999 V2000 -1.5814 0.0316 -0.6348 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8965 0.9949 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 1.3955 1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1002 1.1005 1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 0.3151 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 0.3190 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 -2.8059 -1.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 -2.7958 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 -2.5741 -0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -1.2730 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -1.2376 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -1.4668 -1.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 0.1055 -2.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -1.0675 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4047 0.9411 -2.2671 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 0.3782 -3.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 1.6402 -4.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -1.8913 -1.7412 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 -3.0062 -0.7659 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -2.0474 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -4.0725 -1.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 -4.3304 -0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 -4.8221 -2.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 -4.0549 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 -4.2978 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 -4.8134 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6435 -5.0884 -1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 -4.8559 -1.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9004 1.5733 2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0854 2.9403 2.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 3.3750 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4083 2.4588 4.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2282 1.1021 4.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 0.6544 3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.5349 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 1.8767 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 1.9558 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 -0.7115 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 0.7617 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 1.2958 -1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 -0.4511 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -3.6145 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -3.7533 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 -1.9959 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -3.3231 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -0.4801 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -2.0214 -2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1591 -0.6618 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 -1.4856 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 -0.2901 -4.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 1.7426 -5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 -2.3330 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 -2.0454 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.0506 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1151 -3.6520 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4364 -4.0847 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 -5.0018 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3576 -5.4905 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0394 -5.0713 -2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 3.6566 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 4.4328 3.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9963 2.8041 5.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 0.3919 5.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3387 -0.4050 3.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END > 681934 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 12 > 2009 > 681934 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 12 > 2009 $$$$ Wcorina 04070615353D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 67 69 0 0 0 0 0 0 0 0999 V2000 0.4431 0.9073 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 -0.0478 4.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 -1.1981 3.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -1.6592 4.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 -0.3925 5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3402 0.2089 5.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.2928 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 0.0465 2.1567 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.3591 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 1.5786 1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 1.2769 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 1.8859 1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6811 0.6587 3.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 0.9825 1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 3.1647 1.1069 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 3.4534 1.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 1.5356 4.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 -0.7610 6.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5518 -0.2766 6.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 -0.6101 8.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 -1.4276 9.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 -1.9112 8.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -1.5789 7.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.5460 -1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 0.2970 -1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.0385 -2.5892 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 0.3985 -0.4152 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 -0.2806 -2.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -0.6419 -3.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6626 -0.8947 -3.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -1.2560 -5.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6128 -1.4987 -5.2457 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 1.7544 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -2.0056 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 -0.9006 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -2.4813 4.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3755 -1.9456 3.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 0.2925 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 1.2808 5.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.2862 6.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -0.5496 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 -1.1435 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 0.8080 2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 -0.4947 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 2.4363 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 0.4438 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 2.1579 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 3.8872 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 4.3974 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1181 0.3621 6.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0237 -0.2322 8.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -1.6887 10.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 -2.5505 9.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 -1.9571 7.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 1.3683 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4491 -0.3536 -1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 -0.1197 -3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -1.1029 -1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 0.6190 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.1804 -4.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6463 -1.5415 -4.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 -1.7170 -3.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1708 0.0049 -3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9561 -0.4337 -5.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 -2.1556 -5.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9688 -1.7394 -6.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 -2.2133 -4.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 1 33 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 18 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 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 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 681985 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 2 > 2009 > 681985 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 2 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 66 0 0 0 0 0 0 0 0999 V2000 0.1791 1.7545 -3.7754 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 0.6312 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 -0.6207 -3.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -0.7043 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 0.4299 -5.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 1.5126 -5.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 4.9984 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 4.4146 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 4.1782 -2.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 3.2042 -2.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 3.7518 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 4.0184 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 2.7428 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 2.9589 -3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 1.9111 -0.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 2.7646 -1.9548 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 1.8164 -1.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 3.8454 -4.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 5.2144 1.4063 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0825 4.0841 2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 6.4529 1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 6.6515 3.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 7.3904 1.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1062 8.0114 3.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -2.0030 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 -3.1174 -5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 -4.3254 -5.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 -4.4334 -6.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -3.3324 -6.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -2.1185 -6.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 8.2580 4.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3216 8.2151 4.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 0.8385 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 0.4982 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -1.4972 -2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 0.8582 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.0556 -6.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 1.1688 -4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 2.4317 -5.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 5.9477 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 5.1163 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 3.4723 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 5.0428 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 2.2676 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 4.6814 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 3.0823 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 4.4492 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 3.4297 -2.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 1.9110 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.9684 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 4.2694 3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 3.1735 1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 8.7114 2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.0345 -4.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 -5.1887 -5.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -5.3813 -7.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 -3.4233 -7.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -1.2597 -6.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 8.1128 3.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 7.5580 5.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 9.2788 4.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2338 8.0395 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 9.2360 4.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 7.5151 5.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 54 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 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > 681948 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 13 > 2009 > 681948 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 13 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 0 0 0 0 0999 V2000 0.1643 2.2192 -4.2483 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 0.9683 -3.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 -0.1780 -4.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 -0.2010 -5.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 1.1155 -6.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 2.2764 -5.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9205 4.6020 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 4.0756 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 4.1170 -2.1534 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 3.2576 -2.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 3.7595 -1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 3.7382 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 2.8645 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 3.2955 -3.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2243 1.9666 -0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 3.0618 -2.4822 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 2.2208 -2.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 4.2946 -4.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 5.9769 -0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 6.9398 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 8.2369 0.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 6.6394 1.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 9.3843 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 10.6629 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 10.1771 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 8.7400 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -1.3485 -6.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 -2.3420 -6.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.3916 -7.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -3.4476 -8.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -2.4537 -7.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -1.4048 -6.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 1.0514 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 0.7741 -3.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -0.0283 -4.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -1.1250 -3.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.3260 -5.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 1.2530 -6.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 1.0891 -7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 2.1844 -5.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 3.2246 -6.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 4.5571 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8698 4.6972 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 3.0480 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 5.0643 -2.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 2.2338 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 4.7784 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 2.7138 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.1357 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7969 3.7799 -3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 2.4395 -3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 9.3744 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 9.3436 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 11.4343 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 11.0263 -0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0478 10.1629 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 10.7920 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 8.7646 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 8.1185 -0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -2.2982 -6.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -4.1681 -8.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -4.2680 -8.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 -2.4978 -7.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -0.6284 -6.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 19 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 16 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > 681949 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 15 > 2009 > 681949 > Matrix metalloproteinase-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 15 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.2059 1.6143 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 2.1570 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1335 3.0892 -0.3753 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 4.2421 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 3.7617 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 2.7813 -1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 4.9429 -2.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 5.1774 -2.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 5.7385 -3.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 6.8484 -3.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 5.1923 -1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 4.7597 -2.1671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 6.5228 -1.4759 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 7.0715 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 8.1422 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 9.1321 -0.5231 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 8.5195 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 7.4643 -2.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 10.2103 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5231 11.2591 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 12.3209 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 12.3408 1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 11.2983 2.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 10.2335 1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 0.6601 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -0.5465 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.6345 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6457 -1.5278 1.1519 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 -2.7539 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -3.5627 2.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 -2.4818 2.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 -1.5524 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2074 3.5239 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 1.0802 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 1.3299 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 2.6785 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 4.7537 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 3.2620 -2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 3.2913 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 2.4033 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 5.5509 -3.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 7.3591 -4.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 6.2749 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3388 7.5187 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 7.6748 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 8.6367 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2039 8.0468 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1152 9.2876 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4952 7.9527 -2.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 6.9265 -2.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 11.2444 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4796 13.1369 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 13.1725 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 11.3169 3.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 9.4194 2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 0.3431 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2149 1.1698 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.4979 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 -3.3367 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -4.0199 3.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -4.3188 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 -1.9498 3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -2.9210 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -1.9592 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 -0.5492 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 3.9620 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 4.2665 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 2.6656 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 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 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > 601770 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "8, diastereomeric mixture" > 2009 > 601770 > Matrix metalloproteinase-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "8, diastereomeric mixture" > 2009 $$$$ Wcorina 04070615353D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.1625 1.1076 1.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 0.8007 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.3434 1.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 1.0989 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 0.3505 -0.6971 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 0.7026 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 0.2673 1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 1.0224 2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 0.5841 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 1.6925 2.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -0.3642 2.3698 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -0.0357 2.9505 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 0.0072 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 -1.1131 -1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 0.6304 -0.6628 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2411 0.0178 -1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8141 1.0463 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1313 2.2846 -1.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 2.8938 -1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 1.9438 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8058 3.1877 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 4.4249 -1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 5.3132 -2.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 4.9723 -4.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7639 3.7415 -4.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 2.8485 -3.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 0.5631 -2.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1606 1.4658 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 1.5203 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 -0.9398 2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.8854 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 0.7907 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 2.1670 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 1.7813 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 -0.8050 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 2.0869 2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 0.6416 3.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -1.2717 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 -0.7805 3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 -0.2722 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -0.8596 -1.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7211 0.6487 -2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 1.2571 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1817 3.8360 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1991 3.0788 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 2.3391 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 1.8425 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 4.6920 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1731 6.2754 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6772 5.6690 -4.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 3.4784 -5.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7892 1.8872 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 1.6307 -2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 0.0555 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 0.1608 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 13 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END > 466557 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19457660 > Bioorg. Med. Chem. Lett.|2009|19|13|3525 > "7, diastereomeric mixture" > 2009 > 466557 > Matrix metalloproteinase-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 20 > 2007 $$$$