Mrv1909 12152018182D 176178 0 0 1 0 999 V2000 17.8618 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -29.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4328 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -28.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4328 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4341 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -32.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5775 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7210 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8644 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -25.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0078 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -32.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.1512 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.2946 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -32.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.4380 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.4380 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -25.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.1525 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1525 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8670 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.5814 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5814 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2959 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0104 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7248 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7248 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0104 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2959 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2959 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2959 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0104 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.7248 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4393 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4393 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1538 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.8683 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 42.8683 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5827 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5827 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2972 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2972 -32.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 43.5827 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5827 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2972 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.0117 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 45.0117 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7261 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7261 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4406 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.1551 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 47.1551 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8696 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5840 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2985 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2985 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5840 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8696 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8696 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8696 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5840 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 49.2985 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 49.2985 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0130 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5840 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0130 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0130 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.7274 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.4419 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 51.4419 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1564 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1564 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8709 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8709 -32.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.1564 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1564 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8709 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 53.5853 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 53.5853 -27.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 54.2998 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8709 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8709 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2998 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2998 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.0143 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.7287 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 55.7287 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.1577 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -27.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.1577 -28.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.8721 -28.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 57.8721 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.1577 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.1577 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4432 -25.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.5866 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.5866 -29.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.3011 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 60.0156 -28.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 60.7300 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.4445 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.1590 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.8734 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.5879 -28.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 60.0156 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.7300 -30.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.3011 -30.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 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 5 11 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 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 38 37 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 55 54 1 6 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 55 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 64 63 1 0 0 0 0 64 65 1 1 0 0 0 64 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 69 68 1 6 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 69 75 1 0 0 0 0 75 76 2 0 0 0 0 75 77 1 0 0 0 0 78 77 1 1 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 78 84 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 87 86 1 6 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 89 94 1 0 0 0 0 87 95 1 0 0 0 0 95 96 2 0 0 0 0 95 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 99101 1 0 0 0 0 102101 1 6 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 102108 1 0 0 0 0 108109 2 0 0 0 0 108110 1 0 0 0 0 111110 1 0 0 0 0 111112 1 1 0 0 0 111113 1 0 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 116115 1 6 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 2 0 0 0 0 119120 1 0 0 0 0 120121 2 0 0 0 0 121122 1 0 0 0 0 122123 2 0 0 0 0 118123 1 0 0 0 0 116124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128130 1 0 0 0 0 127131 1 0 0 0 0 131132 2 0 0 0 0 131133 1 0 0 0 0 134133 1 6 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 134140 1 0 0 0 0 140141 2 0 0 0 0 140142 1 0 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 6 0 0 0 144146 1 0 0 0 0 146147 1 0 0 0 0 143148 1 0 0 0 0 148149 2 0 0 0 0 148150 1 0 0 0 0 151150 1 6 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 153155 1 0 0 0 0 151156 1 0 0 0 0 156157 2 0 0 0 0 156158 1 0 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 159165 1 0 0 0 0 165166 2 0 0 0 0 165167 1 0 0 0 0 168167 1 1 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 172173 1 0 0 0 0 168174 1 0 0 0 0 174175 1 0 0 0 0 174176 2 0 0 0 0 M END > DB16293 > drugbank > CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O > InChI=1S/C122H210N32O22/c1-13-77(9)102(152-98(155)71-132)120(174)135-73-100(157)139-86(50-26-35-59-125)110(164)150-96(69-82-44-20-16-21-45-82)118(172)148-93(66-74(3)4)116(170)145-90(54-30-39-63-129)113(167)142-87(51-27-36-60-126)109(163)137-79(11)105(159)141-88(52-28-37-61-127)112(166)143-91(55-31-40-64-130)114(168)149-95(68-81-42-18-15-19-43-81)107(161)134-72-99(156)138-85(49-25-34-58-124)108(162)136-80(12)106(160)147-97(70-83-46-22-17-23-47-83)119(173)153-101(76(7)8)121(175)146-92(56-32-41-65-131)115(169)154-103(78(10)14-2)122(176)151-94(67-75(5)6)117(171)144-89(53-29-38-62-128)111(165)140-84(104(133)158)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,174)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,171)(H,145,170)(H,146,175)(H,147,160)(H,148,172)(H,149,168)(H,150,164)(H,151,176)(H,152,155)(H,153,173)(H,154,169)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1 > KGZGFSNZWHMDGZ-KAYYGGFYSA-N > C122H210N32O22 > 2477.224 > 2475.62974653 > 32 > 386 > 9.867257171208507 > 271.33656741980377 > 0 > 32 > 0 > 0 > (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}hexanamido]-3-phenylpropanamido]-4-methylpentanamido]hexanamido]hexanamido]propanamido]hexanamido]hexanamido]-3-phenylpropanamido]acetamido}hexanamide > 1.10 > -4.51712938466667 > -5.25 > 1 > 10 > 3 > 10 > 11.108552136878485 > 914.3899999999999 > 665.2860000000005 > 94 > 0 > 1.40e-02 g/l > 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxoprop-1-en-1-yl]phenyl (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate > 0 > DB16293 > investigational > Pexiganan > Pexiganan $$$$