Wcorina 04070615343D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.5033 0.2235 0.4384 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6772 -1.1556 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -2.1031 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 -1.7148 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 -0.2857 2.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 0.5836 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5377 1.3617 -2.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 1.3102 -1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7311 2.6452 -2.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 1.0689 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 1.4861 0.3083 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 0.7561 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 1.1189 -1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 0.6878 -2.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 0.4069 -2.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 1.1241 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 -0.7265 -2.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 1.0298 -2.5335 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 0.4035 -3.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 2.2306 0.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 -2.7551 2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 -3.6948 2.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 -4.6598 3.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -4.6973 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -3.7688 5.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 -2.7982 4.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -1.3732 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1825 -1.2722 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 -3.1588 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 0.0782 3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.2237 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 0.3967 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 1.6362 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5834 0.9553 -3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4365 1.2280 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2462 3.0832 -3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0993 3.3559 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9979 1.6522 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3581 0.0092 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 2.4831 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 -0.3159 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 2.1961 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0896 -0.3988 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9983 1.0369 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.9070 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 0.9265 -3.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -3.6670 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 -5.3876 2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 -5.4549 5.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -3.8037 6.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 -2.0739 4.5728 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 16 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 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 21 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 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 M END > 466510 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 11 > 2007 > 466510 > Matrix metalloproteinase-1 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 11 > 2007 $$$$ Wcorina 04070615343D 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 0.3756 1.0718 -0.5675 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 1.9322 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 1.5924 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -2.6955 1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 -2.8482 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 -2.1338 -0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -0.6963 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 -0.4793 1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -1.2086 1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.9946 1.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1441 0.0035 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 1.7920 0.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 1.4266 2.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 2.8115 3.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.3946 0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -3.3845 1.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -4.6769 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4855 -5.3746 1.3663 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 -5.2144 1.8441 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6575 -6.7853 1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1298 -7.1568 1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5657 -6.0970 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7818 -4.8477 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1649 2.7940 -2.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 2.9932 -1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 4.0427 -1.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 4.8930 -3.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 4.6955 -3.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 3.6455 -3.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 2.3993 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 1.3411 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 0.8304 -2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 1.8868 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 -3.1249 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -3.9050 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 -2.4311 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -2.5272 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 -0.2893 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -0.8738 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 -0.7880 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 -1.0928 2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 0.7888 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 3.0243 3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9984 -7.4123 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4341 -6.9163 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2026 -8.1618 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -7.0701 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2608 -6.3909 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6407 -5.9227 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3125 -4.3580 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6311 -4.1531 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 4.1973 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 5.7118 -3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 5.3598 -4.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 3.4912 -3.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 25 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 24 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 4 34 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 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > 681984 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 19 > 2009 > 681984 > Matrix metalloproteinase-1 > Homo sapiens > 19635666 > Bioorg. Med. Chem. Lett.|2009|19|17|5037 > 19 > 2009 $$$$ Wcorina 04070615343D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 48 51 0 1 0 999 V2000 0.0013 0.8826 1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 0.5381 1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 -0.5804 1.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 0.7425 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -0.0340 -0.8891 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 0.3653 -0.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7630 0.0219 1.2709 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6170 0.8141 1.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 0.3861 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.3661 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 1.5040 2.3824 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0448 -0.5306 2.0499 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 -1.5264 -1.1713 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 -0.1594 2.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 0.2692 -1.0271 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 1.6305 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 1.8861 -1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4212 0.8229 -1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -0.2587 -1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7812 0.7091 -2.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8953 0.7354 -1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 0.6287 -1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3291 0.4964 -3.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 0.4701 -4.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9562 0.5691 -3.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 1.3045 2.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 1.2531 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 -1.1208 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -1.1721 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5408 0.3997 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 1.7999 -0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 -1.0246 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.4392 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -1.0458 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 1.8794 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 0.4966 2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -1.4445 1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9436 -0.8837 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8579 2.3507 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4535 1.7082 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4908 2.8025 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 -1.1449 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1346 -0.5059 -2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 0.8393 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0253 0.6490 -1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 0.4137 -3.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3657 0.3670 -5.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 0.5481 -4.2575 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 4 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 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 12 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END > 466551 > Receptor protein-tyrosine kinase erbB-2 > Homo sapiens > 17256836 > J. Med. Chem.|2007|50|4|603 > 19 > 2007 > 466551 > Matrix metalloproteinase-1 > Homo sapiens > 18036818 > Bioorg. Med. Chem. Lett.|2008|18|1|159 > 33 > 2008 $$$$