explore_attn_weights.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "99649b32",
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np\n",
    "import seaborn as sns\n",
    "import matplotlib.pylab as plt\n",
    "import rdkit\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import AllChem"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "a32b89e3",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/data/conghao001/anaconda3/envs/gnndrug/lib/python3.8/site-packages/tqdm/auto.py:22: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
      "  from .autonotebook import tqdm as notebook_tqdm\n"
     ]
    }
   ],
   "source": [
    "from torch_geometric.loader import DataLoader\n",
    "import torch"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "5a56a696",
   "metadata": {},
   "outputs": [],
   "source": [
    "from utils_data import TestbedDataset"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "ae519eb8",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "device(type='cuda', index=3)"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "device = torch.device(\"cuda:3\")\n",
    "# device = torch.device(\"cpu\")\n",
    "device"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "id": "fa567c91",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "GATNet(\n",
       "  (gcn1): GATConv(270, 270, heads=10)\n",
       "  (gcn2): GATConv(2700, 128, heads=1)\n",
       "  (fc_g1): Linear(in_features=128, out_features=128, bias=True)\n",
       "  (conv_xt_1): Conv1d(1, 32, kernel_size=(8,), stride=(1,))\n",
       "  (pool_xt_1): MaxPool1d(kernel_size=3, stride=3, padding=0, dilation=1, ceil_mode=False)\n",
       "  (conv_xt_2): Conv1d(32, 64, kernel_size=(8,), stride=(1,))\n",
       "  (pool_xt_2): MaxPool1d(kernel_size=3, stride=3, padding=0, dilation=1, ceil_mode=False)\n",
       "  (conv_xt_3): Conv1d(64, 128, kernel_size=(8,), stride=(1,))\n",
       "  (pool_xt_3): MaxPool1d(kernel_size=3, stride=3, padding=0, dilation=1, ceil_mode=False)\n",
       "  (fc1_xt): Linear(in_features=2944, out_features=128, bias=True)\n",
       "  (fc1): Linear(in_features=256, out_features=1024, bias=True)\n",
       "  (fc2): Linear(in_features=1024, out_features=128, bias=True)\n",
       "  (out): Linear(in_features=128, out_features=1, bias=True)\n",
       "  (relu): ReLU()\n",
       "  (dropout): Dropout(p=0.5, inplace=False)\n",
       ")"
      ]
     },
     "execution_count": 53,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from models import GATNet_E, GATNet, GATv2Net\n",
    "# model = GATNet_E()\n",
    "# model_path = 'root_folder/root_010/models/model_GAT_Edge-EP300-SW801010_GDSC.model'\n",
    "model = GATNet()\n",
    "model_path = 'root_folder/root_010/models/model_GAT-EP300-SW801010_GDSC.model'\n",
    "\n",
    "# both state dict and model need to be moved to cuda manually \n",
    "model.load_state_dict(torch.load(model_path, map_location=device))\n",
    "model.to(device)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "b510962c",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Pre-processed data found: root_folder/root_010/processed/GDSC_test_mix.pt, loading ...\n"
     ]
    }
   ],
   "source": [
    "branch_folder = \"root_folder/root_010\"\n",
    "dataset = 'GDSC'\n",
    "test_data = TestbedDataset(root=branch_folder, dataset=dataset+'_test_mix')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "3db1460b",
   "metadata": {},
   "outputs": [],
   "source": [
    "test_batch = 1\n",
    "test_loader = DataLoader(test_data, batch_size=test_batch, shuffle=False)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "640ce791",
   "metadata": {},
   "source": [
    "## One instance"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "45216bf3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "DataBatch(x=[38, 270], edge_index=[2, 84], y=[1], edge_features=[84, 4], smiles=[1], drug_name=[1], cell_line_name=[1], target=[1, 735], c_size=[1], batch=[38], ptr=[2])"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "one = next(iter(test_loader))\n",
    "one"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "id": "17c3bbe6",
   "metadata": {},
   "outputs": [],
   "source": [
    "data = one.to(device)\n",
    "out, _, attn_weights = model(data.x, data.edge_index, data.target, data.batch, data.edge_features, return_attention_weights=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "id": "313ceeb4",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(tensor([[ 0,  1,  1,  2,  2,  2,  3,  3,  3,  4,  4,  5,  5,  5,  6,  6,  6,  7,\n",
       "           7,  8,  8,  8,  9,  9, 10, 10, 11, 11, 12, 12, 13, 13, 13, 14, 14, 15,\n",
       "          15, 16, 16, 16, 17, 17, 18, 18, 19, 19, 20, 20, 20, 21, 22, 22, 22, 23,\n",
       "          23, 24, 24, 25, 25, 26, 26, 27, 27, 28, 28, 29, 29, 30, 30, 31, 31, 32,\n",
       "          32, 32, 33, 33, 34, 34, 35, 35, 36, 36, 37, 37,  0,  1,  2,  3,  4,  5,\n",
       "           6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23,\n",
       "          24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37],\n",
       "         [ 1,  0,  2,  1,  3,  7,  2,  4, 28,  3,  5,  4,  6, 11,  5,  7,  8,  6,\n",
       "           2,  6,  9, 12,  8, 10,  9, 11, 10,  5,  8, 13, 12, 14, 18, 13, 15, 14,\n",
       "          16, 15, 17, 19, 16, 18, 17, 13, 16, 20, 19, 21, 22, 20, 20, 23, 27, 22,\n",
       "          24, 23, 25, 24, 26, 25, 27, 26, 22,  3, 29, 28, 30, 29, 31, 30, 32, 31,\n",
       "          33, 37, 32, 34, 33, 35, 34, 36, 35, 37, 36, 32,  0,  1,  2,  3,  4,  5,\n",
       "           6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23,\n",
       "          24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37]],\n",
       "        device='cuda:3'),\n",
       " tensor([[0.4440],\n",
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       "         [0.3348],\n",
       "         [0.3678],\n",
       "         [0.2889]], device='cuda:3', grad_fn=<DifferentiableGraphBackward>))"
      ]
     },
     "execution_count": 55,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "attn_weights"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "130899cb",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(122, 1)"
      ]
     },
     "execution_count": 56,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "attn_weights = attn_weights[1].to('cpu').detach().numpy()\n",
    "attn_weights.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "7a9cbd65",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(84, 1)"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "attn_weights = attn_weights[:-38, ]\n",
    "attn_weights.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "id": "937dc46d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "42.0"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "attn_weights.shape[0]/2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "d171d78f",
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "agg_attn_weights = np.zeros(int(attn_weights.shape[0]/2))\n",
    "for i in range(0, agg_attn_weights.shape[0]):\n",
    "#     print(i)\n",
    "    agg_attn_weights[i] = attn_weights[2*i] + attn_weights[2*i+1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "id": "48b82cc1",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([0.83836603, 0.68224132, 0.57575345, 0.56296712, 0.47980446,\n",
       "       0.56345797, 0.51925766, 0.66844475, 0.3960565 , 0.43968996,\n",
       "       0.60726154, 0.60407007, 0.76538956, 0.48325482, 0.63339305,\n",
       "       0.65829194, 0.51235408, 0.67246878, 0.57499248, 0.7112574 ,\n",
       "       0.52736682, 0.61516535, 0.59858894, 0.97885162, 0.51317298,\n",
       "       0.53097403, 0.4695977 , 0.69772983, 0.7099576 , 0.66135931,\n",
       "       0.69097978, 0.57471597, 0.67942214, 0.71030951, 0.68201494,\n",
       "       0.57855797, 0.7291314 , 0.70240974, 0.75759953, 0.59494597,\n",
       "       0.53555632, 0.52739334])"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "agg_attn_weights"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "75e0142e",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([0.20559187, 0.16730553, 0.14119159, 0.138056  , 0.11766209,\n",
       "       0.13817637, 0.12733717, 0.1639222 , 0.09712464, 0.10782484,\n",
       "       0.14891829, 0.14813565, 0.18769591, 0.11850822, 0.1553265 ,\n",
       "       0.16143244, 0.12564421, 0.16490901, 0.14100497, 0.17442112,\n",
       "       0.12932577, 0.15085654, 0.14679152, 0.24004305, 0.12584503,\n",
       "       0.13021036, 0.11515909, 0.17110376, 0.17410237, 0.16218465,\n",
       "       0.16944845, 0.14093717, 0.16661418, 0.17418867, 0.16725001,\n",
       "       0.14187934, 0.17880435, 0.17225141, 0.18578556, 0.14589815,\n",
       "       0.13133407, 0.12933227])"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# this is to normalize the array to a unit vector\n",
    "\n",
    "# norm = np.linalg.norm(agg_attn_weights)\n",
    "# norm_attn_weights = agg_attn_weights / norm\n",
    "# norm_attn_weights"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "id": "58037ae3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([0.76, 0.49, 0.31, 0.29, 0.14, 0.29, 0.21, 0.47, 0.  , 0.07, 0.36,\n",
       "       0.36, 0.63, 0.15, 0.41, 0.45, 0.2 , 0.47, 0.31, 0.54, 0.23, 0.38,\n",
       "       0.35, 1.  , 0.2 , 0.23, 0.13, 0.52, 0.54, 0.46, 0.51, 0.31, 0.49,\n",
       "       0.54, 0.49, 0.31, 0.57, 0.53, 0.62, 0.34, 0.24, 0.23])"
      ]
     },
     "execution_count": 37,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "norm_attn_weights = (agg_attn_weights - agg_attn_weights.min()) /(agg_attn_weights.max() - agg_attn_weights.min())\n",
    "norm_attn_weights = norm_attn_weights.round(2)\n",
    "norm_attn_weights"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "db6bae24",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "tensor([[ 0,  1,  1,  2,  2,  2,  3,  3,  3,  4,  4,  5,  5,  5,  6,  6,  6,  7,\n",
       "          7,  8,  8,  8,  9,  9, 10, 10, 11, 11, 12, 12, 13, 13, 13, 14, 14, 15,\n",
       "         15, 16, 16, 16, 17, 17, 18, 18, 19, 19, 20, 20, 20, 21, 22, 22, 22, 23,\n",
       "         23, 24, 24, 25, 25, 26, 26, 27, 27, 28, 28, 29, 29, 30, 30, 31, 31, 32,\n",
       "         32, 32, 33, 33, 34, 34, 35, 35, 36, 36, 37, 37],\n",
       "        [ 1,  0,  2,  1,  3,  7,  2,  4, 28,  3,  5,  4,  6, 11,  5,  7,  8,  6,\n",
       "          2,  6,  9, 12,  8, 10,  9, 11, 10,  5,  8, 13, 12, 14, 18, 13, 15, 14,\n",
       "         16, 15, 17, 19, 16, 18, 17, 13, 16, 20, 19, 21, 22, 20, 20, 23, 27, 22,\n",
       "         24, 23, 25, 24, 26, 25, 27, 26, 22,  3, 29, 28, 30, 29, 31, 30, 32, 31,\n",
       "         33, 37, 32, 34, 33, 35, 34, 36, 35, 37, 36, 32]], device='cuda:3')"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data.edge_index"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "646ff34a",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#FF0000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f42e3699220>"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol = Chem.MolFromSmiles(data.smiles[0])\n",
    "mol"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "9751febc",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 1\n",
      "1 2\n",
      "2 3\n",
      "3 4\n",
      "4 5\n",
      "5 6\n",
      "6 7\n",
      "6 8\n",
      "8 9\n",
      "9 10\n",
      "10 11\n",
      "8 12\n",
      "12 13\n",
      "13 14\n",
      "14 15\n",
      "15 16\n",
      "16 17\n",
      "17 18\n",
      "16 19\n",
      "19 20\n",
      "20 21\n",
      "20 22\n",
      "22 23\n",
      "23 24\n",
      "24 25\n",
      "25 26\n",
      "26 27\n",
      "3 28\n",
      "28 29\n",
      "29 30\n",
      "30 31\n",
      "31 32\n",
      "32 33\n",
      "33 34\n",
      "34 35\n",
      "35 36\n",
      "36 37\n",
      "7 2\n",
      "11 5\n",
      "18 13\n",
      "27 22\n",
      "37 32\n"
     ]
    }
   ],
   "source": [
    "for bond in mol.GetBonds():\n",
    "    print(bond.GetBeginAtomIdx(), bond.GetEndAtomIdx())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "id": "ca804a92",
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "for i, bond in enumerate(mol.GetBonds()):\n",
    "#     weight = attn_weights[2*i] + attn_weights[2*i+1]\n",
    "#     print(i, weight)\n",
    "    bond.SetProp('bondNote',str(norm_attn_weights[i]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "id": "1e43816b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "L 60.9 85.5\n",
       "L 58.7 85.5\n",
       "L 58.7 85.2\n",
       "Q 59.3 84.8, 59.6 84.5\n",
       "Q 60.0 84.2, 60.2 83.9\n",
       "Q 60.4 83.6, 60.4 83.3\n",
       "Q 60.4 83.0, 60.2 82.8\n",
       "Q 60.0 82.6, 59.8 82.6\n",
       "Q 59.5 82.6, 59.3 82.7\n",
       "Q 59.2 82.8, 59.0 83.0\n",
       "L 58.7 82.9\n",
       "' fill='#000000'/>\n",
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       "L 63.7 84.4\n",
       "L 63.7 84.8\n",
       "L 63.3 84.8\n",
       "L 63.3 85.5\n",
       "L 62.9 85.5\n",
       "L 62.9 84.8\n",
       "L 61.2 84.8\n",
       "L 61.2 84.5\n",
       "L 62.6 82.3\n",
       "L 63.3 82.3\n",
       "L 63.3 84.4\n",
       "M 61.7 84.4\n",
       "L 62.9 84.4\n",
       "L 62.9 82.6\n",
       "L 61.7 84.4\n",
       "' fill='#000000'/>\n",
       "<path class='note' d='M 388.5 79.5\n",
       "Q 387.9 79.5, 387.6 79.0\n",
       "Q 387.3 78.6, 387.3 77.8\n",
       "Q 387.3 77.0, 387.6 76.6\n",
       "Q 387.9 76.1, 388.5 76.1\n",
       "Q 389.1 76.1, 389.4 76.6\n",
       "Q 389.7 77.0, 389.7 77.8\n",
       "Q 389.7 78.6, 389.4 79.0\n",
       "Q 389.1 79.5, 388.5 79.5\n",
       "M 388.5 79.1\n",
       "Q 388.9 79.1, 389.0 78.8\n",
       "Q 389.2 78.4, 389.2 77.8\n",
       "Q 389.2 77.1, 389.0 76.8\n",
       "Q 388.9 76.5, 388.5 76.5\n",
       "Q 388.1 76.5, 387.9 76.8\n",
       "Q 387.8 77.1, 387.8 77.8\n",
       "Q 387.8 78.4, 387.9 78.8\n",
       "Q 388.1 79.1, 388.5 79.1\n",
       "' fill='#000000'/>\n",
       "<path class='note' d='M 390.0 79.0\n",
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       "Q 392.4 76.1, 392.6 76.4\n",
       "Q 392.9 76.7, 392.9 77.1\n",
       "Q 392.9 77.6, 392.6 78.1\n",
       "Q 392.2 78.5, 391.5 79.1\n",
       "L 393.0 79.1\n",
       "L 393.0 79.4\n",
       "L 390.8 79.4\n",
       "L 390.8 79.1\n",
       "Q 391.4 78.7, 391.7 78.4\n",
       "Q 392.1 78.0, 392.3 77.7\n",
       "Q 392.5 77.5, 392.5 77.2\n",
       "Q 392.5 76.8, 392.3 76.7\n",
       "Q 392.1 76.5, 391.9 76.5\n",
       "Q 391.6 76.5, 391.4 76.6\n",
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       "L 390.8 76.8\n",
       "' fill='#000000'/>\n",
       "<path class='note' d='M 394.8 77.7\n",
       "Q 395.1 77.8, 395.3 78.0\n",
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       "Q 395.5 78.8, 395.3 79.0\n",
       "Q 395.2 79.2, 394.9 79.4\n",
       "Q 394.7 79.5, 394.3 79.5\n",
       "Q 394.0 79.5, 393.7 79.4\n",
       "Q 393.5 79.2, 393.3 79.0\n",
       "L 393.5 78.7\n",
       "Q 393.7 78.9, 393.9 79.0\n",
       "Q 394.1 79.1, 394.3 79.1\n",
       "Q 394.6 79.1, 394.8 79.0\n",
       "Q 395.0 78.8, 395.0 78.5\n",
       "Q 395.0 78.2, 394.8 78.0\n",
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       "L 394.0 77.9\n",
       "L 394.0 77.6\n",
       "L 394.2 77.6\n",
       "Q 394.5 77.6, 394.7 77.4\n",
       "Q 394.9 77.2, 394.9 77.0\n",
       "Q 394.9 76.7, 394.8 76.6\n",
       "Q 394.6 76.5, 394.3 76.5\n",
       "Q 394.1 76.5, 393.9 76.6\n",
       "Q 393.7 76.7, 393.6 76.9\n",
       "L 393.3 76.8\n",
       "Q 393.4 76.5, 393.7 76.3\n",
       "Q 394.0 76.1, 394.3 76.1\n",
       "Q 394.8 76.1, 395.1 76.3\n",
       "Q 395.4 76.6, 395.4 77.0\n",
       "Q 395.4 77.2, 395.2 77.4\n",
       "Q 395.1 77.6, 394.8 77.7\n",
       "' fill='#000000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f42e3699220>"
      ]
     },
     "execution_count": 41,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "dc5adfa5",
   "metadata": {},
   "source": [
    "## All drugs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "f0d43fd5",
   "metadata": {},
   "outputs": [],
   "source": [
    "import os\n",
    "d_save_path = 'root_folder/root_010/SaliencyMap/Bonds/GAT_Edge/'\n",
    "os.makedirs(d_save_path, exist_ok=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "44bc4106",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 ZM447439 910944\n",
      "1 PLX-4720 905978\n",
      "2 VX-11e 924238\n",
      "3 Temozolomide 946360\n",
      "4 Gefitinib 908465\n",
      "5 VX-11e 1290797\n",
      "6 OSI-027 907056\n",
      "7 Talazoparib 908129\n",
      "8 Docetaxel 908148\n",
      "9 WIKI4 1503370\n",
      "10 Gefitinib 909723\n",
      "11 YK-4-279 909773\n",
      "12 Rapamycin 1290455\n",
      "13 Daporinad 910548\n",
      "14 OSI-027 722066\n",
      "15 Axitinib 905989\n",
      "16 Gemcitabine 909249\n",
      "17 Pictilisib 908471\n",
      "18 Trametinib 907295\n",
      "19 Camptothecin 724878\n",
      "20 I-BET-762 907789\n",
      "21 SB216763 753612\n",
      "22 AZD7762 1240199\n",
      "23 Navitoclax 753541\n",
      "24 JQ1 1303900\n",
      "25 Obatoclax Mesylate 910926\n",
      "26 PLX-4720 1240166\n",
      "27 Nutlin-3a (-) 1503371\n",
      "28 Obatoclax Mesylate 753552\n",
      "29 BMS-345541 688001\n",
      "30 Vinblastine 1298146\n",
      "31 WIKI4 1322224\n",
      "32 Sepantronium bromide 908120\n",
      "33 Pictilisib 924186\n",
      "34 BI-2536 910942\n",
      "35 PD0325901 909260\n",
      "36 Navitoclax 1303900\n",
      "37 RO-3306 1303912\n",
      "38 Palbociclib 1290908\n",
      "39 Gemcitabine 1240123\n",
      "40 YK-4-279 905947\n",
      "41 BMS-345541 910689\n",
      "42 PLX-4720 906838\n",
      "43 Tamoxifen 907276\n",
      "44 Tozasertib 753594\n",
      "45 VX-11e 909740\n",
      "46 PD0325901 910921\n",
      "47 5-Fluorouracil 1660034\n",
      "48 Sepantronium bromide 905971\n",
      "49 Trametinib 906999\n",
      "50 Tamoxifen 687777\n",
      "51 VX-11e 908443\n",
      "52 Pictilisib 925338\n",
      "53 WIKI4 907053\n",
      "54 BMS-536924 907320\n",
      "55 Afatinib 907279\n",
      "56 OSI-027 909264\n",
      "57 WIKI4 1290808\n",
      "58 BMS-345541 909746\n",
      "59 Luminespib 1299052\n",
      "60 AZD6482 909784\n",
      "61 Afatinib 753548\n",
      "62 AZD8055 907790\n",
      "63 Navitoclax 1290769\n",
      "64 BMS-345541 907300\n",
      "65 Palbociclib 908467\n",
      "66 Bortezomib 1330933\n",
      "67 Luminespib 909756\n",
      "68 Temozolomide 930083\n",
      "69 SB216763 906844\n",
      "70 YK-4-279 717431\n",
      "71 Gefitinib 1299064\n",
      "72 WIKI4 910401\n",
      "73 WIKI4 687819\n",
      "74 5-Fluorouracil 907322\n",
      "75 Vorinostat 908443\n",
      "76 5-Fluorouracil 1298533\n",
      "77 Linsitinib 924108\n",
      "78 Dabrafenib 1299050\n",
      "79 I-BET-762 910936\n",
      "80 Afatinib 946358\n",
      "81 XAV939 910944\n",
      "82 I-BET-762 905950\n",
      "83 Olaparib 1240199\n",
      "84 Tamoxifen 906855\n",
      "85 AZD7762 753548\n",
      "86 PD0325901 924104\n",
      "87 Sepantronium bromide 908448\n",
      "88 Palbociclib 1327774\n",
      "89 Erlotinib 909731\n",
      "90 Nutlin-3a (-) 907071\n",
      "91 Vinblastine 1247873\n",
      "92 Talazoparib 1303897\n",
      "93 YK-4-279 1330933\n",
      "94 Linsitinib 684059\n",
      "95 Axitinib 1240200\n",
      "96 Ruxolitinib 1240186\n",
      "97 Pictilisib 688086\n",
      "98 PF-4708671 907062\n",
      "99 Doramapimod 1240222\n",
      "100 Luminespib 909723\n",
      "101 Axitinib 688058\n",
      "102 JQ1 908444\n",
      "103 BI-2536 908471\n",
      "104 NU7441 908483\n",
      "105 JQ1 1240131\n",
      "106 WIKI4 907056\n",
      "107 Talazoparib 1298157\n",
      "108 Daporinad 1240151\n",
      "109 PLX-4720 906830\n",
      "110 AZD7762 906870\n",
      "111 Rapamycin 910554\n",
      "112 VX-11e 907787\n",
      "113 Rapamycin 909722\n",
      "114 Temozolomide 1240217\n",
      "115 AZD6482 687455\n",
      "116 Ruxolitinib 1240158\n",
      "117 JQ1 907044\n",
      "118 Olaparib 910549\n",
      "119 WIKI4 1331040\n",
      "120 Trametinib 1240185\n",
      "121 Tozasertib 753532\n",
      "122 PF-4708671 906814\n",
      "123 Dactolisib 1331049\n",
      "124 Gefitinib 908134\n",
      "125 GSK269962A 949157\n",
      "126 KU-55933 1240174\n",
      "127 OSI-027 906693\n",
      "128 YK-4-279 910780\n",
      "129 Luminespib 910710\n",
      "130 Dabrafenib 905950\n",
      "131 Camptothecin 908159\n",
      "132 Gefitinib 749717\n",
      "133 ZM447439 684072\n",
      "134 PLX-4720 910903\n",
      "135 PLX-4720 1331038\n",
      "136 Daporinad 1240199\n",
      "137 Olaparib 908158\n",
      "138 GSK269962A 949168\n",
      "139 Tamoxifen 687816\n",
      "140 Entinostat 949177\n",
      "141 Crizotinib 909975\n",
      "142 Palbociclib 749709\n",
      "143 Olaparib 909701\n",
      "144 Tamoxifen 1240172\n",
      "145 JQ1 908152\n",
      "146 Talazoparib 909743\n",
      "147 RO-3306 1480362\n",
      "148 Ruxolitinib 907072\n",
      "149 Palbociclib 1240122\n",
      "150 Crizotinib 909253\n",
      "151 NU7441 906875\n",
      "152 BMS-345541 906834\n",
      "153 Cytarabine 906792\n",
      "154 Doramapimod 1479987\n",
      "155 Afatinib 949179\n",
      "156 KU-55933 753569\n",
      "157 5-Fluorouracil 1290722\n",
      "158 NU7441 683667\n",
      "159 NU7441 1331038\n",
      "160 Pictilisib 1240226\n",
      "161 Obatoclax Mesylate 1240131\n",
      "162 Ruxolitinib 905956\n",
      "163 PD173074 910948\n",
      "164 PF-4708671 753569\n",
      "165 Afatinib 949161\n",
      "166 AZD8055 906821\n",
      "167 Nutlin-3a (-) 908148\n",
      "168 Daporinad 907274\n",
      "169 RO-3306 910911\n",
      "170 5-Fluorouracil 906838\n",
      "171 AZD6482 998189\n",
      "172 Nilotinib 1503364\n",
      "173 Olaparib 908446\n",
      "174 PD0325901 910691\n",
      "175 Pevonedistat 949165\n",
      "176 PD173074 906800\n",
      "177 KU-55933 1240141\n",
      "178 Ruxolitinib 1479988\n",
      "179 Tozasertib 910401\n",
      "180 Gefitinib 1295740\n",
      "181 WIKI4 753539\n",
      "182 GSK269962A 1240222\n",
      "183 Rapamycin 1299075\n",
      "184 JQ1 909262\n",
      "185 YK-4-279 1298350\n",
      "186 OSI-027 910920\n",
      "187 WIKI4 906826\n",
      "188 Palbociclib 724872\n",
      "189 XAV939 1298358\n",
      "190 Olaparib 909777\n",
      "191 GSK269962A 687452\n",
      "192 I-BET-762 1247871\n",
      "193 YK-4-279 905984\n",
      "194 YK-4-279 908126\n",
      "195 Olaparib 907069\n",
      "196 Afatinib 1240212\n",
      "197 PLX-4720 1331032\n",
      "198 SB216763 907298\n",
      "199 KU-55933 924107\n",
      "200 Talazoparib 907320\n",
      "201 XAV939 1240215\n",
      "202 Doramapimod 906846\n",
      "203 Talazoparib 908125\n",
      "204 Paclitaxel 910779\n",
      "205 Luminespib 924107\n",
      "206 OSI-027 1298151\n",
      "207 Afatinib 907285\n",
      "208 AZD7762 907789\n",
      "209 5-Fluorouracil 1331048\n",
      "210 PF-4708671 687455\n",
      "211 Linsitinib 1240216\n",
      "212 Olaparib 688010\n",
      "213 Nutlin-3a (-) 1240157\n",
      "214 Ruxolitinib 1240138\n",
      "215 BMS-345541 687459\n",
      "216 Paclitaxel 1298352\n",
      "217 Dactolisib 909263\n",
      "218 AZD6482 687983\n",
      "219 PD0325901 1240162\n",
      "220 Olaparib 683665\n",
      "221 OSI-027 909696\n",
      "222 Docetaxel 910903\n",
      "223 JQ1 908455\n",
      "224 Pictilisib 1240124\n",
      "225 5-Fluorouracil 949179\n",
      "226 Nutlin-3a (-) 909697\n",
      "227 Vorinostat 906842\n",
      "228 PLX-4720 909702\n",
      "229 Bortezomib 946355\n",
      "230 Pevonedistat 910907\n",
      "231 Nutlin-3a (-) 905984\n",
      "232 Tamoxifen 1303897\n",
      "233 RO-3306 905968\n",
      "234 Tozasertib 1295741\n",
      "235 OSI-027 909975\n",
      "236 ZM447439 908141\n",
      "237 PLX-4720 1240169\n",
      "238 PLX-4720 907065\n",
      "239 PF-4708671 1240200\n",
      "240 ZM447439 1290810\n",
      "241 Palbociclib 1240193\n",
      "242 PD0325901 905989\n",
      "243 AZD6482 909731\n",
      "244 Gefitinib 908448\n",
      "245 Nutlin-3a (-) 906842\n",
      "246 KU-55933 905940\n",
      "247 PLX-4720 909777\n",
      "248 Pictilisib 1331037\n",
      "249 PF-4708671 907279\n",
      "250 KU-55933 1240222\n",
      "251 Olaparib 908470\n",
      "252 BI-2536 908467\n",
      "253 Pictilisib 907051\n",
      "254 Afatinib 908445\n",
      "255 Navitoclax 924107\n",
      "256 Obatoclax Mesylate 1298136\n",
      "257 Axitinib 906828\n",
      "258 Pictilisib 905959\n",
      "259 AZD7762 910942\n",
      "260 OSI-027 717431\n",
      "261 Afatinib 1298358\n",
      "262 RO-3306 910943\n",
      "263 Dasatinib 905952\n",
      "264 ZM447439 1240123\n",
      "265 Pevonedistat 905967\n",
      "266 Dabrafenib 1331036\n",
      "267 Afatinib 949155\n",
      "268 Linsitinib 753532\n",
      "269 Navitoclax 907047\n",
      "270 Pictilisib 1240153\n",
      "271 SB216763 908122\n",
      "272 BMS-536924 906804\n",
      "273 Cytarabine 753607\n",
      "274 Cytarabine 1298141\n",
      "275 XAV939 910781\n",
      "276 5-Fluorouracil 910549\n",
      "277 Tozasertib 1331038\n",
      "278 Rapamycin 910700\n",
      "279 JQ1 683665\n",
      "280 Doramapimod 924239\n",
      "281 GSK1904529A 909785\n",
      "282 Luminespib 1298539\n",
      "283 AZD6482 1240162\n",
      "284 Olaparib 1298537\n",
      "285 I-BET-762 906800\n",
      "286 Paclitaxel 910703\n",
      "287 BMS-536924 1240142\n",
      "288 Trametinib 905935\n",
      "289 Pictilisib 724863\n",
      "290 BMS-536924 1297447\n",
      "291 Lapatinib 753552\n",
      "292 Doramapimod 724834\n",
      "293 Tamoxifen 1330950\n",
      "294 Gemcitabine 905989\n",
      "295 PD0325901 910948\n",
      "296 Navitoclax 906826\n",
      "297 PLX-4720 949153\n",
      "298 OSI-027 908440\n",
      "299 NU7441 1240143\n",
      "300 Axitinib 909248\n",
      "301 Bortezomib 687799\n",
      "302 Pictilisib 909731\n",
      "303 Afatinib 687802\n",
      "304 VX-11e 925346\n",
      "305 BMS-754807 907298\n",
      "306 NU7441 908459\n",
      "307 Afatinib 906826\n",
      "308 AZD7762 1330941\n",
      "309 BI-2536 908458\n",
      "310 KU-55933 910692\n",
      "311 Paclitaxel 946368\n",
      "312 OSI-027 1290814\n",
      "313 KU-55933 1240157\n",
      "314 Palbociclib 949094\n",
      "315 Doramapimod 905962\n",
      "316 Palbociclib 910692\n",
      "317 KU-55933 1509073\n",
      "318 5-Fluorouracil 1240215\n",
      "319 PD173074 910710\n",
      "320 Entinostat 910710\n",
      "321 Pevonedistat 905975\n",
      "322 Axitinib 1303897\n",
      "323 Luminespib 753623\n",
      "324 Paclitaxel 910911\n",
      "325 Trametinib 1290798\n",
      "326 JQ1 906852\n",
      "327 Olaparib 909975\n",
      "328 NU7441 909740\n",
      "329 PD0325901 909251\n",
      "330 Obatoclax Mesylate 687985\n",
      "331 BMS-536924 906842\n",
      "332 Gefitinib 1290807\n",
      "333 AZD7762 905960\n",
      "334 NU7441 909256\n",
      "335 Lapatinib 684062\n",
      "336 Pictilisib 1299075\n",
      "337 BMS-345541 753573\n",
      "338 Temozolomide 749714\n",
      "339 Dabrafenib 1295740\n",
      "340 Afatinib 717431\n",
      "341 JQ1 908145\n",
      "342 YK-4-279 949179\n",
      "343 GSK269962A 907064\n",
      "344 Navitoclax 905948\n",
      "345 Dactolisib 1240154\n",
      "346 Ruxolitinib 905950\n",
      "347 Sepantronium bromide 949163\n",
      "348 Sorafenib 909773\n",
      "349 GSK269962A 907269\n",
      "350 OSI-027 949160\n",
      "351 I-BET-762 910548\n",
      "352 Pictilisib 753586\n",
      "353 Ruxolitinib 1297447\n",
      "354 XAV939 1295740\n",
      "355 Tamoxifen 1298223\n",
      "356 PLX-4720 1290771\n",
      "357 Paclitaxel 905958\n",
      "358 Gefitinib 1330933\n",
      "359 Nutlin-3a (-) 1331039\n",
      "360 Docetaxel 1240154\n",
      "361 OSI-027 924102\n",
      "362 Gemcitabine 749713\n",
      "363 Doramapimod 753589\n",
      "364 Nutlin-3a (-) 1295741\n",
      "365 GSK269962A 930298\n",
      "366 Doramapimod 908131\n",
      "367 5-Fluorouracil 946353\n",
      "368 AZD6482 724878\n",
      "369 PD173074 907311\n",
      "370 PF-4708671 906792\n",
      "371 SB216763 910852\n",
      "372 Axitinib 908150\n",
      "373 Gemcitabine 684059\n",
      "374 AZD8055 1298476\n",
      "375 PLX-4720 930298\n",
      "376 Olaparib 753614\n",
      "377 NU7441 906763\n",
      "378 VX-11e 1297449\n",
      "379 Axitinib 906835\n",
      "380 PLX-4720 907172\n",
      "381 GSK269962A 910924\n",
      "382 Vorinostat 909255\n",
      "383 Dasatinib 910944\n",
      "384 BI-2536 684059\n",
      "385 Doramapimod 909260\n",
      "386 SB216763 909907\n",
      "387 XAV939 909249\n",
      "388 Talazoparib 906852\n",
      "389 BI-2536 906842\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "390 Olaparib 924100\n",
      "391 Entinostat 1298352\n",
      "392 VX-11e 1247873\n",
      "393 Pictilisib 1295741\n",
      "394 Talazoparib 753614\n",
      "395 PLX-4720 1298533\n",
      "396 JQ1 906795\n",
      "397 Dabrafenib 753618\n",
      "398 JQ1 753556\n",
      "399 GSK1904529A 910710\n",
      "400 Axitinib 1503364\n",
      "401 AZD7762 753554\n",
      "402 Dabrafenib 906793\n",
      "403 Crizotinib 753612\n",
      "404 Bortezomib 687807\n",
      "405 Ruxolitinib 753589\n",
      "406 AZD8055 1299050\n",
      "407 5-Fluorouracil 1240196\n",
      "408 Dactolisib 909759\n",
      "409 Daporinad 905964\n",
      "410 Dactolisib 1330947\n",
      "411 Vorinostat 687997\n",
      "412 PF-4708671 1331033\n",
      "413 Olaparib 688013\n",
      "414 Nutlin-3a (-) 753554\n",
      "415 Nilotinib 1298359\n",
      "416 Gefitinib 906852\n",
      "417 MK-2206 909780\n",
      "418 Dactolisib 1298151\n",
      "419 AZD8055 906862\n",
      "420 Pictilisib 905977\n",
      "421 BI-2536 735784\n",
      "422 PD0325901 949171\n",
      "423 Ruxolitinib 905977\n",
      "424 PLX-4720 910900\n",
      "425 Nutlin-3a (-) 1479987\n",
      "426 RO-3306 1331038\n",
      "427 Axitinib 1240154\n",
      "428 Daporinad 907055\n",
      "429 Vinblastine 753554\n",
      "430 YK-4-279 753618\n",
      "431 Navitoclax 1331038\n",
      "432 Rapamycin 917486\n",
      "433 Talazoparib 909704\n",
      "434 AZD6482 1330935\n",
      "435 YK-4-279 909249\n",
      "436 Paclitaxel 910687\n",
      "437 PD0325901 908470\n",
      "438 Olaparib 908156\n",
      "439 Palbociclib 907788\n",
      "440 GSK269962A 910695\n",
      "441 PF-4708671 1299070\n",
      "442 Nilotinib 753569\n",
      "443 Bortezomib 905978\n",
      "444 BMS-536924 905948\n",
      "445 ZM447439 1290730\n",
      "446 XAV939 998189\n",
      "447 Linsitinib 753620\n",
      "448 MK-2206 946355\n",
      "449 Dabrafenib 1240200\n",
      "450 OSI-027 1240200\n",
      "451 Olaparib 1240145\n",
      "452 RO-3306 688027\n",
      "453 Axitinib 906865\n",
      "454 JQ1 908443\n",
      "455 KU-55933 949094\n",
      "456 Docetaxel 909751\n",
      "457 KU-55933 1331033\n",
      "458 Afatinib 905961\n",
      "459 Dabrafenib 907791\n",
      "460 Paclitaxel 908159\n",
      "461 Doramapimod 907788\n",
      "462 Dabrafenib 946382\n",
      "463 PF-4708671 908460\n",
      "464 BMS-536924 749709\n",
      "465 BMS-536924 908141\n",
      "466 JQ1 910568\n",
      "467 Gemcitabine 1240145\n",
      "468 Camptothecin 724834\n",
      "469 Dabrafenib 724863\n",
      "470 Doramapimod 1240189\n",
      "471 Afatinib 905941\n",
      "472 AZD6482 1331033\n",
      "473 RO-3306 687514\n",
      "474 Trametinib 1240137\n",
      "475 5-Fluorouracil 724855\n",
      "476 VX-11e 909251\n",
      "477 JQ1 909708\n",
      "478 AZD6482 753614\n",
      "479 KU-55933 907787\n",
      "480 OSI-027 753584\n",
      "481 Pevonedistat 909719\n",
      "482 Afatinib 908445\n",
      "483 Obatoclax Mesylate 910849\n",
      "484 JQ1 1240219\n",
      "485 Cytarabine 909977\n",
      "486 Gemcitabine 906828\n",
      "487 Axitinib 1298134\n",
      "488 Temozolomide 749716\n",
      "489 I-BET-762 909709\n",
      "490 Dabrafenib 910781\n",
      "491 Pictilisib 910916\n",
      "492 BMS-345541 907289\n",
      "493 SB216763 906800\n",
      "494 Pictilisib 908120\n",
      "495 WIKI4 1290807\n",
      "496 Luminespib 910922\n",
      "497 AZD7762 908475\n",
      "498 Docetaxel 1660036\n",
      "499 Doramapimod 907170\n",
      "500 Palbociclib 949093\n",
      "501 Dactolisib 909729\n",
      "502 Vinblastine 909769\n",
      "503 BMS-536924 971773\n",
      "504 Talazoparib 1330983\n",
      "505 Paclitaxel 1330942\n",
      "506 Pictilisib 905945\n",
      "507 NU7441 1330942\n",
      "508 Dabrafenib 907068\n",
      "509 Sepantronium bromide 949094\n",
      "510 Trametinib 687780\n",
      "511 MK-2206 925345\n",
      "512 Pictilisib 687455\n",
      "513 Olaparib 1290765\n",
      "514 NU7441 1240131\n",
      "515 WIKI4 905979\n",
      "516 AZD8055 1298347\n",
      "517 Nutlin-3a (-) 753532\n",
      "518 GSK1904529A 1298216\n",
      "519 Navitoclax 1330947\n",
      "520 Vorinostat 905971\n",
      "521 Paclitaxel 753551\n",
      "522 Sepantronium bromide 905936\n",
      "523 Gemcitabine 753562\n",
      "524 Daporinad 906838\n",
      "525 Gefitinib 724859\n",
      "526 AZD6482 906763\n",
      "527 Afatinib 1240172\n",
      "528 Entinostat 1331045\n",
      "529 Cytarabine 713878\n",
      "530 Temozolomide 753592\n",
      "531 Pictilisib 907053\n",
      "532 AZD7762 1480371\n",
      "533 MK-2206 905965\n",
      "534 Ruxolitinib 1330935\n",
      "535 Afatinib 906872\n",
      "536 PD173074 905984\n",
      "537 Dabrafenib 907322\n",
      "538 PLX-4720 910926\n",
      "539 AZD7762 906831\n",
      "540 YK-4-279 907313\n",
      "541 Camptothecin 949168\n",
      "542 PLX-4720 925346\n",
      "543 KU-55933 684062\n",
      "544 I-BET-762 946358\n",
      "545 OSI-027 906833\n",
      "546 GSK1904529A 908143\n",
      "547 Paclitaxel 924238\n",
      "548 Tamoxifen 687985\n",
      "549 Vorinostat 1299070\n",
      "550 YK-4-279 906830\n",
      "551 XAV939 1298529\n",
      "552 PLX-4720 1240202\n",
      "553 JQ1 688025\n",
      "554 Docetaxel 909260\n",
      "555 5-Fluorouracil 909255\n",
      "556 VX-11e 749711\n",
      "557 OSI-027 1297446\n",
      "558 GSK269962A 1330933\n",
      "559 5-Fluorouracil 906856\n",
      "560 PD0325901 905968\n",
      "561 Talazoparib 749717\n",
      "562 Linsitinib 1330983\n",
      "563 OSI-027 908473\n",
      "564 BMS-754807 910942\n",
      "565 WIKI4 909707\n",
      "566 BMS-345541 910933\n",
      "567 BMS-536924 1330973\n",
      "568 PD173074 1240209\n",
      "569 Cytarabine 905975\n",
      "570 5-Fluorouracil 908459\n",
      "571 SB216763 909723\n",
      "572 Nilotinib 907169\n",
      "573 Dactolisib 687777\n",
      "574 Obatoclax Mesylate 907056\n",
      "575 PLX-4720 909707\n",
      "576 Pevonedistat 753614\n",
      "577 5-Fluorouracil 907278\n",
      "578 AZD8055 909719\n",
      "579 Tamoxifen 909781\n",
      "580 BMS-345541 687829\n",
      "581 Erlotinib 907789\n",
      "582 Linsitinib 909976\n",
      "583 VX-11e 753532\n",
      "584 Gemcitabine 688021\n",
      "585 GSK269962A 1331049\n",
      "586 Ruxolitinib 1240226\n",
      "587 Ruxolitinib 910688\n",
      "588 Temozolomide 1290771\n",
      "589 JQ1 1290905\n",
      "590 JQ1 905977\n",
      "591 Temozolomide 907068\n",
      "592 Navitoclax 1298533\n",
      "593 Luminespib 906835\n",
      "594 SB216763 713878\n",
      "595 Vorinostat 909907\n",
      "596 Daporinad 909976\n",
      "597 Paclitaxel 687799\n",
      "598 BMS-345541 1299059\n",
      "599 Camptothecin 688014\n",
      "600 AZD7762 688086\n",
      "601 Dactolisib 906842\n",
      "602 SB216763 917486\n",
      "603 Daporinad 1240196\n",
      "604 GSK269962A 683667\n",
      "605 Trametinib 905951\n",
      "606 Daporinad 910926\n",
      "607 Linsitinib 907065\n",
      "608 RO-3306 907290\n",
      "609 JQ1 925343\n",
      "610 WIKI4 910779\n",
      "611 I-BET-762 910944\n",
      "612 Obatoclax Mesylate 907057\n",
      "613 Pictilisib 910691\n",
      "614 KU-55933 1327774\n",
      "615 Dabrafenib 1789883\n",
      "616 Ruxolitinib 1240167\n",
      "617 Olaparib 907045\n",
      "618 Dabrafenib 907268\n",
      "619 Dasatinib 753563\n",
      "620 VX-11e 688025\n",
      "621 Trametinib 905955\n",
      "622 Vorinostat 1298168\n",
      "623 I-BET-762 905969\n",
      "624 Palbociclib 1331045\n",
      "625 RO-3306 905947\n",
      "626 Pictilisib 905938\n",
      "627 PD0325901 910780\n",
      "628 PF-4708671 911905\n",
      "629 KU-55933 908130\n",
      "630 PLX-4720 1503371\n",
      "631 Linsitinib 907169\n",
      "632 Afatinib 753616\n",
      "633 BMS-345541 906852\n",
      "634 Cytarabine 909751\n",
      "635 Cytarabine 906818\n",
      "636 Sorafenib 924106\n",
      "637 MK-2206 1659818\n",
      "638 BMS-345541 930299\n",
      "639 Docetaxel 949153\n",
      "640 Olaparib 1298219\n",
      "641 Dactolisib 1330931\n",
      "642 AZD8055 1240166\n",
      "643 Entinostat 910919\n",
      "644 I-BET-762 905991\n",
      "645 ZM447439 910942\n",
      "646 BMS-754807 724834\n",
      "647 Talazoparib 1503370\n",
      "648 5-Fluorouracil 1240146\n",
      "649 GSK269962A 724869\n",
      "650 Trametinib 1298222\n",
      "651 Axitinib 1298357\n",
      "652 Sepantronium bromide 910850\n",
      "653 Tamoxifen 684057\n",
      "654 KU-55933 906808\n",
      "655 Dabrafenib 906804\n",
      "656 Doramapimod 1290730\n",
      "657 GSK1904529A 1240219\n",
      "658 AZD8055 1503370\n",
      "659 NU7441 905961\n",
      "660 MK-2206 1295741\n",
      "661 Pictilisib 905991\n",
      "662 PLX-4720 909701\n",
      "663 Docetaxel 906856\n",
      "664 AZD7762 905951\n",
      "665 BMS-536924 924102\n",
      "666 Doramapimod 1327766\n",
      "667 Lapatinib 688086\n",
      "668 Dactolisib 687780\n",
      "669 ZM447439 910900\n",
      "670 Tozasertib 949165\n",
      "671 BI-2536 906847\n",
      "672 OSI-027 909262\n",
      "673 Ruxolitinib 909709\n",
      "674 YK-4-279 1298168\n",
      "675 YK-4-279 949093\n",
      "676 JQ1 1240192\n",
      "677 XAV939 908126\n",
      "678 PLX-4720 1290906\n",
      "679 Afatinib 1240157\n",
      "680 Nilotinib 907313\n",
      "681 Palbociclib 910850\n",
      "682 Afatinib 907270\n",
      "683 I-BET-762 909735\n",
      "684 Navitoclax 906828\n",
      "685 Nilotinib 753607\n",
      "686 Sepantronium bromide 906834\n",
      "687 RO-3306 909721\n",
      "688 Vinblastine 906821\n",
      "689 Crizotinib 1303896\n",
      "690 Axitinib 907072\n",
      "691 Camptothecin 924250\n",
      "692 Vinblastine 924102\n",
      "693 Tamoxifen 1240137\n",
      "694 OSI-027 907065\n",
      "695 SB216763 713899\n",
      "696 Pevonedistat 909732\n",
      "697 OSI-027 688058\n",
      "698 Sorafenib 905948\n",
      "699 Gemcitabine 1240140\n",
      "700 Ruxolitinib 1240131\n",
      "701 Vorinostat 906865\n",
      "702 Daporinad 905946\n",
      "703 Bortezomib 910942\n",
      "704 Linsitinib 749710\n",
      "705 Ruxolitinib 909745\n",
      "706 GSK1904529A 910687\n",
      "707 AZD6482 687586\n",
      "708 AZD6482 910926\n",
      "709 Navitoclax 905970\n",
      "710 NU7441 949165\n",
      "711 Ruxolitinib 905945\n",
      "712 Bortezomib 907043\n",
      "713 Gefitinib 1331048\n",
      "714 Afatinib 1330987\n",
      "715 AZD6482 1298358\n",
      "716 Pictilisib 1299062\n",
      "717 Vinblastine 910916\n",
      "718 Entinostat 907290\n",
      "719 SB216763 907312\n",
      "720 Luminespib 713899\n",
      "721 I-BET-762 908463\n",
      "722 Nilotinib 906844\n",
      "723 XAV939 925346\n",
      "724 Afatinib 1247871\n",
      "725 PD0325901 1240215\n",
      "726 JQ1 907053\n",
      "727 Temozolomide 1298359\n",
      "728 Talazoparib 910546\n",
      "729 GSK269962A 909750\n",
      "730 Dabrafenib 909756\n",
      "731 Ruxolitinib 907044\n",
      "732 PLX-4720 910851\n",
      "733 PF-4708671 724838\n",
      "734 I-BET-762 909770\n",
      "735 GSK269962A 1240128\n",
      "736 Rapamycin 910710\n",
      "737 Daporinad 910705\n",
      "738 PF-4708671 907170\n",
      "739 Lapatinib 753623\n",
      "740 Dabrafenib 724869\n",
      "741 Vorinostat 724839\n",
      "742 XAV939 924108\n",
      "743 Trametinib 753600\n",
      "744 Gefitinib 1240130\n",
      "745 Palbociclib 1240131\n",
      "746 OSI-027 906846\n",
      "747 PD0325901 949158\n",
      "748 GSK269962A 687586\n",
      "749 Daporinad 1290771\n",
      "750 ZM447439 905947\n",
      "751 GSK269962A 724879\n",
      "752 Gefitinib 753576\n",
      "753 AZD8055 910853\n",
      "754 5-Fluorouracil 907047\n",
      "755 Gefitinib 1240134\n",
      "756 BMS-345541 1240123\n",
      "757 Cytarabine 1240212\n",
      "758 XAV939 1240138\n",
      "759 Gemcitabine 906863\n",
      "760 MK-2206 909253\n",
      "761 Dactolisib 907312\n",
      "762 Entinostat 905980\n",
      "763 Afatinib 1298349\n",
      "764 AZD6482 908465\n",
      "765 Daporinad 908463\n",
      "766 Tozasertib 1298352\n",
      "767 ZM447439 910705\n",
      "768 Afatinib 906862\n",
      "769 Vinblastine 909717\n",
      "770 5-Fluorouracil 910849\n",
      "771 SB216763 925346\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "772 Vorinostat 905964\n",
      "773 Daporinad 908461\n",
      "774 PD173074 909751\n",
      "775 MK-2206 749710\n",
      "776 NU7441 905964\n",
      "777 ZM447439 1240121\n",
      "778 PF-4708671 687787\n",
      "779 ZM447439 907055\n",
      "780 BMS-536924 907046\n",
      "781 JQ1 1240212\n",
      "782 GSK269962A 949090\n",
      "783 JQ1 910687\n",
      "784 ZM447439 907047\n",
      "785 Gemcitabine 907170\n",
      "786 Tamoxifen 905983\n",
      "787 Olaparib 905976\n",
      "788 PF-4708671 1503365\n",
      "789 Obatoclax Mesylate 909781\n",
      "790 Linsitinib 1290813\n",
      "791 AZD7762 687514\n",
      "792 PD0325901 687985\n",
      "793 SB216763 905973\n",
      "794 BMS-536924 909250\n",
      "795 PF-4708671 909745\n",
      "796 Luminespib 906836\n",
      "797 Doramapimod 905980\n",
      "798 BMS-536924 905957\n",
      "799 Dasatinib 687807\n",
      "800 Sepantronium bromide 908158\n",
      "801 PD173074 1240173\n",
      "802 Dasatinib 907278\n",
      "803 RO-3306 905965\n",
      "804 Sepantronium bromide 1503365\n",
      "805 Camptothecin 998184\n",
      "806 Vinblastine 925347\n",
      "807 Sepantronium bromide 910546\n",
      "808 Vorinostat 910706\n",
      "809 Trametinib 1503371\n",
      "810 GSK269962A 946368\n",
      "811 Afatinib 905978\n",
      "812 Olaparib 949168\n",
      "813 GSK269962A 724825\n",
      "814 BMS-754807 910784\n",
      "815 Palbociclib 909260\n",
      "816 BMS-536924 905940\n",
      "817 MK-2206 909721\n",
      "818 VX-11e 753555\n",
      "819 Gemcitabine 924104\n",
      "820 Tamoxifen 907055\n",
      "821 Afatinib 1298533\n",
      "822 KU-55933 908476\n",
      "823 I-BET-762 905965\n",
      "824 GSK269962A 924244\n",
      "825 Palbociclib 905962\n",
      "826 JQ1 753566\n",
      "827 Temozolomide 1298350\n",
      "828 ZM447439 908462\n",
      "829 Cytarabine 753616\n",
      "830 Cytarabine 687777\n",
      "831 PD173074 910916\n",
      "832 GSK1904529A 910851\n",
      "833 Dactolisib 907299\n",
      "834 Olaparib 1240208\n",
      "835 Vinblastine 687798\n",
      "836 ZM447439 907279\n",
      "837 Nutlin-3a (-) 1331040\n",
      "838 Pevonedistat 910689\n",
      "839 GSK1904529A 908476\n",
      "840 YK-4-279 949163\n",
      "841 AZD6482 908446\n",
      "842 Nutlin-3a (-) 687506\n",
      "843 Olaparib 908448\n",
      "844 GSK269962A 753620\n",
      "845 Pictilisib 930299\n",
      "846 Talazoparib 753552\n",
      "847 VX-11e 909743\n",
      "848 ZM447439 909738\n",
      "849 JQ1 949177\n",
      "850 Camptothecin 684057\n",
      "851 Paclitaxel 909717\n",
      "852 AZD8055 1503364\n",
      "853 Vinblastine 1298349\n",
      "854 Tamoxifen 753565\n",
      "855 Sorafenib 910910\n",
      "856 Dabrafenib 753584\n",
      "857 NU7441 906855\n",
      "858 MK-2206 1303896\n",
      "859 PF-4708671 907278\n",
      "860 Talazoparib 753569\n",
      "861 Gemcitabine 687777\n",
      "862 MK-2206 909777\n",
      "863 Vorinostat 909769\n",
      "864 5-Fluorouracil 949094\n",
      "865 I-BET-762 688031\n",
      "866 Ruxolitinib 1240218\n",
      "867 PD173074 1290722\n",
      "868 Daporinad 909773\n",
      "869 BMS-536924 909732\n",
      "870 Navitoclax 910944\n",
      "871 Camptothecin 909977\n",
      "872 Pictilisib 905947\n",
      "873 PLX-4720 1290722\n",
      "874 GSK269962A 908458\n",
      "875 Palbociclib 1240197\n",
      "876 Talazoparib 1295741\n",
      "877 OSI-027 905957\n",
      "878 WIKI4 1290797\n",
      "879 WIKI4 909731\n",
      "880 ZM447439 1240141\n",
      "881 Nutlin-3a (-) 907788\n",
      "882 Gefitinib 909904\n",
      "883 Vorinostat 1240170\n",
      "884 XAV939 753576\n",
      "885 NU7441 1240123\n",
      "886 ZM447439 1503367\n",
      "887 5-Fluorouracil 713899\n",
      "888 Olaparib 946370\n",
      "889 Pictilisib 749709\n",
      "890 Axitinib 909717\n",
      "891 BMS-536924 906846\n",
      "892 XAV939 687815\n",
      "893 VX-11e 909262\n",
      "894 Pictilisib 905975\n",
      "895 BMS-345541 1240184\n",
      "896 Axitinib 753569\n",
      "897 5-Fluorouracil 687787\n",
      "898 Talazoparib 1240199\n",
      "899 Nutlin-3a (-) 905990\n",
      "900 AZD6482 917486\n",
      "901 AZD6482 910688\n",
      "902 Linsitinib 906839\n",
      "903 PLX-4720 946356\n",
      "904 Dactolisib 907072\n",
      "905 AZD6482 906828\n",
      "906 Erlotinib 1331032\n",
      "907 Paclitaxel 1240181\n",
      "908 OSI-027 684072\n",
      "909 AZD6482 1298358\n",
      "910 Trametinib 908132\n",
      "911 Vinblastine 753574\n",
      "912 Nutlin-3a (-) 1327769\n",
      "913 JQ1 1240221\n",
      "914 BMS-754807 906865\n",
      "915 RO-3306 908442\n",
      "916 VX-11e 907317\n",
      "917 Talazoparib 1240193\n",
      "918 Cytarabine 1298151\n",
      "919 Axitinib 1290813\n",
      "920 AZD6482 924110\n",
      "921 PD0325901 753538\n",
      "922 Pevonedistat 949156\n",
      "923 Afatinib 906848\n",
      "924 PLX-4720 687455\n",
      "925 Palbociclib 687562\n",
      "926 AZD6482 1240215\n",
      "927 Palbociclib 908141\n",
      "928 Cytarabine 924187\n",
      "929 Trametinib 907299\n",
      "930 AZD6482 909784\n",
      "931 Pictilisib 907796\n",
      "932 Dabrafenib 910687\n",
      "933 JQ1 906763\n",
      "934 Doramapimod 909257\n",
      "935 AZD6482 930298\n",
      "936 XAV939 908129\n",
      "937 JQ1 1240215\n",
      "938 Paclitaxel 908146\n",
      "939 Gemcitabine 907043\n",
      "940 Sepantronium bromide 908462\n",
      "941 NU7441 905960\n",
      "942 Trametinib 906856\n",
      "943 Temozolomide 1298151\n",
      "944 OSI-027 909704\n",
      "945 OSI-027 687802\n",
      "946 Gemcitabine 909252\n",
      "947 BMS-536924 909904\n",
      "948 Nutlin-3a (-) 930299\n",
      "949 AZD6482 1240147\n",
      "950 Docetaxel 907066\n",
      "951 VX-11e 1298134\n",
      "952 I-BET-762 1299059\n",
      "953 JQ1 907290\n",
      "954 Daporinad 907280\n",
      "955 Temozolomide 1299075\n",
      "956 BMS-345541 909759\n",
      "957 PD173074 909253\n",
      "958 Dactolisib 1299052\n",
      "959 Gefitinib 1297447\n",
      "960 AZD8055 905957\n",
      "961 NU7441 1240167\n",
      "962 Sorafenib 753618\n",
      "963 GSK269962A 724863\n",
      "964 GSK1904529A 905962\n",
      "965 PF-4708671 1503362\n",
      "966 VX-11e 1299059\n",
      "967 Nilotinib 1322224\n",
      "968 PLX-4720 909728\n",
      "969 Afatinib 1240168\n",
      "970 5-Fluorouracil 906801\n",
      "971 AZD6482 908443\n",
      "972 Doramapimod 688006\n",
      "973 PLX-4720 909263\n",
      "974 AZD6482 906848\n",
      "975 Gefitinib 905937\n",
      "976 Camptothecin 1298347\n",
      "977 VX-11e 1298169\n",
      "978 GSK1904529A 910935\n",
      "979 Luminespib 909264\n",
      "980 RO-3306 1240218\n",
      "981 KU-55933 1298168\n",
      "982 Nilotinib 910710\n",
      "983 Pictilisib 909262\n",
      "984 Daporinad 1330985\n",
      "985 GSK1904529A 908462\n",
      "986 JQ1 753614\n",
      "987 Luminespib 949179\n",
      "988 PF-4708671 909252\n",
      "989 I-BET-762 1330935\n",
      "990 PLX-4720 1240202\n",
      "991 Axitinib 909256\n",
      "992 Nilotinib 908473\n",
      "993 Tamoxifen 1240184\n",
      "994 Pictilisib 907069\n",
      "995 Pictilisib 906846\n",
      "996 RO-3306 1299081\n",
      "997 AZD8055 688031\n",
      "998 GSK269962A 908457\n",
      "999 NU7441 910926\n",
      "1000 AZD6482 910944\n",
      "1001 Pictilisib 907300\n",
      "1002 JQ1 908473\n",
      "1003 AZD6482 906872\n",
      "1004 I-BET-762 1298529\n",
      "1005 Gefitinib 909976\n",
      "1006 AZD6482 724828\n",
      "1007 PLX-4720 909736\n",
      "1008 AZD6482 683667\n",
      "1009 Trametinib 907271\n",
      "1010 Pictilisib 907321\n",
      "1011 Nutlin-3a (-) 905968\n",
      "1012 Luminespib 906861\n",
      "1013 BMS-754807 1330987\n",
      "1014 Sorafenib 908444\n",
      "1015 Obatoclax Mesylate 908123\n",
      "1016 VX-11e 753575\n",
      "1017 GSK1904529A 906821\n",
      "1018 Docetaxel 1327775\n",
      "1019 5-Fluorouracil 909769\n",
      "1020 Rapamycin 910944\n",
      "1021 AZD7762 1298218\n",
      "1022 OSI-027 753618\n",
      "1023 Nutlin-3a (-) 907794\n",
      "1024 Pictilisib 908148\n",
      "1025 Luminespib 724859\n",
      "1026 YK-4-279 1330935\n",
      "1027 Trametinib 924238\n",
      "1028 Docetaxel 1240222\n",
      "1029 ZM447439 1240129\n",
      "1030 NU7441 1503371\n",
      "1031 AZD7762 1240149\n",
      "1032 I-BET-762 687563\n",
      "1033 PD173074 908442\n",
      "1034 5-Fluorouracil 906795\n",
      "1035 JQ1 1331032\n",
      "1036 Bortezomib 909262\n",
      "1037 5-Fluorouracil 910915\n",
      "1038 NU7441 1240170\n",
      "1039 Pictilisib 1290808\n",
      "1040 PD173074 1299078\n",
      "1041 BMS-536924 908121\n",
      "1042 AZD7762 1660035\n",
      "1043 Axitinib 687588\n",
      "1044 Camptothecin 908139\n",
      "1045 Vinblastine 907062\n",
      "1046 Axitinib 905971\n",
      "1047 Vinblastine 907058\n",
      "1048 Pictilisib 909748\n",
      "1049 Afatinib 906824\n",
      "1050 PLX-4720 1240144\n",
      "1051 Navitoclax 906870\n",
      "1052 Erlotinib 688027\n",
      "1053 YK-4-279 907067\n",
      "1054 PLX-4720 910951\n",
      "1055 Dactolisib 713878\n",
      "1056 BI-2536 1322224\n",
      "1057 Obatoclax Mesylate 905991\n",
      "1058 Temozolomide 688023\n",
      "1059 Linsitinib 924100\n",
      "1060 BMS-754807 753546\n",
      "1061 Trametinib 1240216\n",
      "1062 VX-11e 905969\n",
      "1063 Trametinib 905990\n",
      "1064 AZD6482 909250\n",
      "1065 BMS-345541 1330933\n",
      "1066 Nilotinib 1240151\n",
      "1067 Olaparib 906865\n",
      "1068 Docetaxel 713880\n",
      "1069 Nutlin-3a (-) 909773\n",
      "1070 Trametinib 949156\n",
      "1071 Docetaxel 753594\n",
      "1072 Vorinostat 1240167\n",
      "1073 KU-55933 1330950\n",
      "1074 AZD6482 1240202\n",
      "1075 Temozolomide 724838\n",
      "1076 VX-11e 724869\n",
      "1077 Daporinad 909250\n",
      "1078 Docetaxel 907056\n",
      "1079 MK-2206 910937\n",
      "1080 Palbociclib 906869\n",
      "1081 Sepantronium bromide 687457\n",
      "1082 Afatinib 906852\n",
      "1083 Vorinostat 1299052\n",
      "1084 Bortezomib 906869\n",
      "1085 Ruxolitinib 909698\n",
      "1086 Olaparib 1503361\n",
      "1087 Gemcitabine 907311\n",
      "1088 Olaparib 910951\n",
      "1089 KU-55933 1299080\n",
      "1090 AZD6482 930082\n",
      "1091 Bortezomib 753555\n",
      "1092 Nutlin-3a (-) 908459\n",
      "1093 Ruxolitinib 688025\n",
      "1094 WIKI4 749713\n",
      "1095 AZD7762 688006\n",
      "1096 AZD6482 909780\n",
      "1097 Cytarabine 909740\n",
      "1098 GSK269962A 906808\n",
      "1099 JQ1 905942\n",
      "1100 ZM447439 1327774\n",
      "1101 AZD8055 909784\n",
      "1102 BMS-345541 905941\n",
      "1103 Gemcitabine 908460\n",
      "1104 SB216763 687799\n",
      "1105 PF-4708671 1480372\n",
      "1106 Talazoparib 688006\n",
      "1107 GSK269962A 906817\n",
      "1108 Gefitinib 910548\n",
      "1109 Daporinad 908159\n",
      "1110 Linsitinib 907313\n",
      "1111 Vorinostat 687777\n",
      "1112 Talazoparib 908461\n",
      "1113 Gemcitabine 724838\n",
      "1114 PLX-4720 909976\n",
      "1115 Talazoparib 909256\n",
      "1116 Tozasertib 1331037\n",
      "1117 Cytarabine 909904\n",
      "1118 Tozasertib 687562\n",
      "1119 5-Fluorouracil 907060\n",
      "1120 Olaparib 1240134\n",
      "1121 Cytarabine 1298526\n",
      "1122 AZD7762 910544\n",
      "1123 Palbociclib 687787\n",
      "1124 GSK269962A 906834\n",
      "1125 AZD6482 1331038\n",
      "1126 WIKI4 1480364\n",
      "1127 PD173074 909754\n",
      "1128 Gefitinib 907000\n",
      "1129 PLX-4720 1298222\n",
      "1130 Olaparib 1330933\n",
      "1131 PD173074 905956\n",
      "1132 Olaparib 908451\n",
      "1133 Pictilisib 910900\n",
      "1134 Cytarabine 909753\n",
      "1135 Camptothecin 924108\n",
      "1136 Tamoxifen 908132\n",
      "1137 GSK1904529A 1298538\n",
      "1138 I-BET-762 909780\n",
      "1139 5-Fluorouracil 1240179\n",
      "1140 Olaparib 905938\n",
      "1141 Lapatinib 910554\n",
      "1142 Doramapimod 1503366\n",
      "1143 Camptothecin 753607\n",
      "1144 WIKI4 1290722\n",
      "1145 Pictilisib 1330964\n",
      "1146 Gemcitabine 1298476\n",
      "1147 Camptothecin 907272\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1148 PLX-4720 905944\n",
      "1149 Linsitinib 908123\n",
      "1150 Gemcitabine 1290813\n",
      "1151 Olaparib 907068\n",
      "1152 Luminespib 906797\n",
      "1153 KU-55933 907285\n",
      "1154 XAV939 1240149\n",
      "1155 Tamoxifen 910694\n",
      "1156 Gemcitabine 1290810\n",
      "1157 JQ1 1240162\n",
      "1158 Ruxolitinib 753558\n",
      "1159 AZD6482 925343\n",
      "1160 Palbociclib 687820\n",
      "1161 JQ1 1240122\n",
      "1162 Linsitinib 687995\n",
      "1163 Trametinib 907061\n",
      "1164 Cytarabine 908476\n",
      "1165 GSK269962A 909759\n",
      "1166 Sepantronium bromide 908473\n",
      "1167 GSK1904529A 753586\n",
      "1168 Docetaxel 688018\n",
      "1169 Entinostat 905978\n",
      "1170 Gemcitabine 910915\n",
      "1171 Olaparib 1330983\n",
      "1172 Dactolisib 1240197\n",
      "1173 XAV939 1322224\n",
      "1174 Trametinib 908126\n",
      "1175 WIKI4 930298\n",
      "1176 Talazoparib 1290809\n",
      "1177 Vinblastine 905957\n",
      "1178 Olaparib 908144\n",
      "1179 Obatoclax Mesylate 906826\n",
      "1180 GSK269962A 1789883\n",
      "1181 PF-4708671 949153\n",
      "1182 Afatinib 722066\n",
      "1183 Olaparib 724872\n",
      "1184 Temozolomide 910907\n",
      "1185 KU-55933 687807\n",
      "1186 5-Fluorouracil 905991\n",
      "1187 Bortezomib 909723\n",
      "1188 Sepantronium bromide 1298352\n",
      "1189 BI-2536 909777\n",
      "1190 Gefitinib 907783\n",
      "1191 BMS-536924 1330947\n",
      "1192 AZD6482 1322218\n",
      "1193 AZD7762 907312\n",
      "1194 Vinblastine 1298538\n",
      "1195 SB216763 907068\n",
      "1196 SB216763 905969\n",
      "1197 VX-11e 1503367\n",
      "1198 Cytarabine 905970\n",
      "1199 Sorafenib 905967\n",
      "1200 5-Fluorouracil 909702\n",
      "1201 GSK269962A 906855\n",
      "1202 SB216763 1503368\n",
      "1203 Temozolomide 906801\n",
      "1204 RO-3306 909754\n",
      "1205 Tamoxifen 687787\n",
      "1206 BMS-536924 924186\n",
      "1207 BMS-536924 687997\n",
      "1208 Trametinib 735784\n",
      "1209 Talazoparib 1322224\n",
      "1210 Talazoparib 907050\n",
      "1211 KU-55933 906746\n",
      "1212 Talazoparib 1503364\n",
      "1213 GSK1904529A 906792\n",
      "1214 Afatinib 1503363\n",
      "1215 Obatoclax Mesylate 907268\n",
      "1216 Tamoxifen 910549\n",
      "1217 Axitinib 906877\n",
      "1218 MK-2206 906847\n",
      "1219 Cytarabine 908128\n",
      "1220 Linsitinib 909778\n",
      "1221 PD0325901 908132\n",
      "1222 YK-4-279 1240127\n",
      "1223 Obatoclax Mesylate 1331032\n",
      "1224 AZD6482 1479987\n",
      "1225 I-BET-762 687997\n",
      "1226 Axitinib 908146\n",
      "1227 Linsitinib 1298352\n",
      "1228 GSK269962A 906838\n",
      "1229 Afatinib 1297447\n",
      "1230 I-BET-762 1331040\n",
      "1231 PD173074 905974\n",
      "1232 Axitinib 907169\n",
      "1233 Pictilisib 1298218\n",
      "1234 PF-4708671 910927\n",
      "1235 AZD7762 908131\n",
      "1236 Luminespib 910549\n",
      "1237 Talazoparib 1331048\n",
      "1238 Luminespib 1327769\n",
      "1239 Dactolisib 907285\n",
      "1240 Palbociclib 909737\n",
      "1241 PLX-4720 1303912\n",
      "1242 JQ1 1240137\n",
      "1243 Afatinib 905965\n",
      "1244 PLX-4720 910849\n",
      "1245 XAV939 905958\n",
      "1246 Gemcitabine 1298531\n",
      "1247 Ruxolitinib 1298359\n",
      "1248 PLX-4720 1298539\n",
      "1249 SB216763 907276\n",
      "1250 Obatoclax Mesylate 753546\n",
      "1251 5-Fluorouracil 906818\n",
      "1252 Vinblastine 687505\n",
      "1253 Afatinib 907323\n",
      "1254 Talazoparib 909784\n",
      "1255 Cytarabine 907299\n",
      "1256 ZM447439 910700\n",
      "1257 Palbociclib 688027\n",
      "1258 Trametinib 946361\n",
      "1259 BMS-345541 753538\n",
      "1260 AZD7762 753618\n",
      "1261 Vinblastine 909744\n",
      "1262 AZD7762 907058\n",
      "1263 Doramapimod 724828\n",
      "1264 Ruxolitinib 907295\n",
      "1265 Nilotinib 753594\n",
      "1266 Nutlin-3a (-) 905989\n",
      "1267 PD0325901 909720\n",
      "1268 Doramapimod 905974\n",
      "1269 Gemcitabine 749712\n",
      "1270 Linsitinib 753589\n",
      "1271 Lapatinib 908126\n",
      "1272 YK-4-279 907061\n",
      "1273 RO-3306 909697\n",
      "1274 Palbociclib 906793\n",
      "1275 WIKI4 908159\n",
      "1276 AZD7762 909785\n",
      "1277 AZD7762 1240172\n",
      "1278 GSK269962A 1240123\n",
      "1279 BMS-345541 909769\n",
      "1280 AZD7762 907787\n",
      "1281 Palbociclib 753562\n",
      "1282 PLX-4720 1290807\n",
      "1283 Olaparib 907289\n",
      "1284 GSK269962A 753608\n",
      "1285 GSK1904529A 907066\n",
      "1286 PLX-4720 905958\n",
      "1287 Afatinib 905944\n",
      "1288 Obatoclax Mesylate 1290810\n",
      "1289 Gemcitabine 1240221\n",
      "1290 Tamoxifen 905939\n",
      "1291 Dasatinib 753555\n",
      "1292 Afatinib 905984\n",
      "1293 BMS-754807 908130\n",
      "1294 Tamoxifen 1240183\n",
      "1295 XAV939 907794\n",
      "1296 Nutlin-3a (-) 684057\n",
      "1297 PF-4708671 1331050\n",
      "1298 Gefitinib 909747\n",
      "1299 Vorinostat 906873\n",
      "1300 5-Fluorouracil 908465\n",
      "1301 PF-4708671 924239\n",
      "1302 Tozasertib 1330985\n",
      "1303 Linsitinib 907064\n",
      "1304 NU7441 753546\n",
      "1305 PD173074 1247873\n",
      "1306 PD0325901 753623\n",
      "1307 Nutlin-3a (-) 949093\n",
      "1308 VX-11e 1240197\n",
      "1309 JQ1 1240154\n",
      "1310 PD173074 905946\n",
      "1311 Daporinad 949153\n",
      "1312 BMS-536924 905961\n",
      "1313 Dactolisib 909708\n",
      "1314 PD173074 908455\n",
      "1315 Luminespib 905991\n",
      "1316 Pictilisib 749709\n",
      "1317 BMS-536924 905941\n",
      "1318 Daporinad 949094\n",
      "1319 OSI-027 724838\n",
      "1320 Dabrafenib 907042\n",
      "1321 Luminespib 906868\n",
      "1322 PLX-4720 1299075\n",
      "1323 Tamoxifen 1503370\n",
      "1324 BMS-536924 909773\n",
      "1325 Vorinostat 949090\n",
      "1326 Pevonedistat 908144\n",
      "1327 JQ1 1298134\n",
      "1328 5-Fluorouracil 905970\n",
      "1329 Olaparib 687815\n",
      "1330 Vinblastine 906831\n",
      "1331 YK-4-279 722066\n",
      "1332 PF-4708671 908138\n",
      "1333 GSK1904529A 949164\n",
      "1334 PLX-4720 1298348\n",
      "1335 AZD8055 1298141\n",
      "1336 5-Fluorouracil 1503371\n",
      "1337 Vinblastine 1298226\n",
      "1338 PD0325901 753565\n",
      "1339 Cytarabine 1299070\n",
      "1340 JQ1 946361\n",
      "1341 AZD7762 724872\n",
      "1342 NU7441 906794\n",
      "1343 YK-4-279 687600\n",
      "1344 Axitinib 906851\n",
      "1345 Ruxolitinib 713878\n",
      "1346 GSK269962A 910079\n",
      "1347 Temozolomide 910927\n",
      "1348 Daporinad 907050\n",
      "1349 MK-2206 908455\n",
      "1350 Gemcitabine 907045\n",
      "1351 ZM447439 907172\n",
      "1352 Luminespib 910691\n",
      "1353 Palbociclib 749712\n",
      "1354 ZM447439 949178\n",
      "1355 Luminespib 905934\n",
      "1356 JQ1 1240127\n",
      "1357 JQ1 1331033\n",
      "1358 Doramapimod 946370\n",
      "1359 BMS-536924 909262\n",
      "1360 Daporinad 1240130\n",
      "1361 PLX-4720 906848\n",
      "1362 PLX-4720 1290455\n",
      "1363 Talazoparib 753620\n",
      "1364 PLX-4720 1240197\n",
      "1365 Gefitinib 907066\n",
      "1366 Cytarabine 906693\n",
      "1367 Vorinostat 908465\n",
      "1368 NU7441 946358\n",
      "1369 Dabrafenib 1290814\n",
      "1370 YK-4-279 909262\n",
      "1371 PD0325901 949177\n",
      "1372 Olaparib 1479987\n",
      "1373 Palbociclib 908158\n",
      "1374 BMS-754807 910688\n",
      "1375 WIKI4 909699\n",
      "1376 PF-4708671 749717\n",
      "1377 Talazoparib 907273\n",
      "1378 KU-55933 1299059\n",
      "1379 JQ1 1240219\n",
      "1380 Olaparib 908141\n",
      "1381 Palbociclib 930297\n",
      "1382 Docetaxel 909248\n",
      "1383 Daporinad 998189\n",
      "1384 Lapatinib 906869\n",
      "1385 Luminespib 688031\n",
      "1386 Sepantronium bromide 1240168\n",
      "1387 Dasatinib 910937\n",
      "1388 YK-4-279 749716\n",
      "1389 Nilotinib 908121\n",
      "1390 BMS-536924 907277\n",
      "1391 Ruxolitinib 1298476\n",
      "1392 Nilotinib 1240146\n",
      "1393 Erlotinib 906861\n",
      "1394 Olaparib 910698\n",
      "1395 Olaparib 924238\n",
      "1396 Olaparib 1331032\n",
      "1397 Crizotinib 906812\n",
      "1398 Camptothecin 724872\n",
      "1399 Navitoclax 1327766\n",
      "1400 RO-3306 909744\n",
      "1401 Talazoparib 949179\n",
      "1402 JQ1 907794\n",
      "1403 PD173074 905960\n",
      "1404 Navitoclax 905965\n",
      "1405 SB216763 907789\n",
      "1406 Crizotinib 910947\n",
      "1407 KU-55933 906812\n",
      "1408 Entinostat 909250\n",
      "1409 Tamoxifen 1290722\n",
      "1410 Dabrafenib 1503368\n",
      "1411 Docetaxel 908123\n",
      "1412 JQ1 753574\n",
      "1413 Tamoxifen 1503366\n",
      "1414 Pictilisib 909750\n",
      "1415 Temozolomide 1298539\n",
      "1416 OSI-027 687780\n",
      "1417 Olaparib 905965\n",
      "1418 ZM447439 907787\n",
      "1419 I-BET-762 1660036\n",
      "1420 Afatinib 908455\n",
      "1421 MK-2206 905986\n",
      "1422 PD0325901 946357\n",
      "1423 PD173074 907285\n",
      "1424 Luminespib 909977\n",
      "1425 Temozolomide 949172\n",
      "1426 I-BET-762 1240127\n",
      "1427 OSI-027 909743\n",
      "1428 Nutlin-3a (-) 910951\n",
      "1429 Olaparib 687568\n",
      "1430 KU-55933 1240143\n",
      "1431 VX-11e 687777\n",
      "1432 Nilotinib 688058\n",
      "1433 Pictilisib 1674021\n",
      "1434 Camptothecin 906746\n",
      "1435 Erlotinib 1331038\n",
      "1436 AZD6482 910852\n",
      "1437 WIKI4 684062\n",
      "1438 Sorafenib 949161\n",
      "1439 Tozasertib 908136\n",
      "1440 PD0325901 905942\n",
      "1441 NU7441 909974\n",
      "1442 Pictilisib 910687\n",
      "1443 Luminespib 724869\n",
      "1444 Pictilisib 753592\n",
      "1445 AZD6482 949094\n",
      "1446 Pictilisib 749715\n",
      "1447 YK-4-279 753562\n",
      "1448 I-BET-762 910546\n",
      "1449 Trametinib 687588\n",
      "1450 Lapatinib 906875\n",
      "1451 Olaparib 910710\n",
      "1452 OSI-027 949155\n",
      "1453 GSK269962A 906804\n",
      "1454 Dabrafenib 909735\n",
      "1455 Paclitaxel 909722\n",
      "1456 Afatinib 1524416\n",
      "1457 YK-4-279 907071\n",
      "1458 Trametinib 1331049\n",
      "1459 Tamoxifen 1480371\n",
      "1460 Palbociclib 906765\n",
      "1461 Ruxolitinib 687815\n",
      "1462 Palbociclib 1299062\n",
      "1463 Cytarabine 907073\n",
      "1464 OSI-027 908127\n",
      "1465 Sepantronium bromide 906830\n",
      "1466 Olaparib 909736\n",
      "1467 RO-3306 687505\n",
      "1468 GSK269962A 909777\n",
      "1469 Palbociclib 687985\n",
      "1470 Dabrafenib 907270\n",
      "1471 Rapamycin 908141\n",
      "1472 Sepantronium bromide 909252\n",
      "1473 BMS-536924 909249\n",
      "1474 ZM447439 909260\n",
      "1475 PLX-4720 905978\n",
      "1476 PF-4708671 1290797\n",
      "1477 Trametinib 910915\n",
      "1478 5-Fluorouracil 908149\n",
      "1479 ZM447439 724879\n",
      "1480 PD173074 949179\n",
      "1481 Doramapimod 753552\n",
      "1482 BMS-536924 907792\n",
      "1483 Nilotinib 1295740\n",
      "1484 BMS-536924 688013\n",
      "1485 MK-2206 909729\n",
      "1486 BMS-754807 1240154\n",
      "1487 Ruxolitinib 910952\n",
      "1488 NU7441 949166\n",
      "1489 PLX-4720 909720\n",
      "1490 I-BET-762 1503362\n",
      "1491 Olaparib 910695\n",
      "1492 AZD6482 1290455\n",
      "1493 Nilotinib 688010\n",
      "1494 KU-55933 908459\n",
      "1495 Cytarabine 906794\n",
      "1496 Daporinad 910900\n",
      "1497 Pictilisib 724863\n",
      "1498 Dabrafenib 910932\n",
      "1499 Gemcitabine 925348\n",
      "1500 Daporinad 907285\n",
      "1501 Luminespib 908151\n",
      "1502 PLX-4720 1330931\n",
      "1503 Obatoclax Mesylate 909761\n",
      "1504 Pictilisib 1298134\n",
      "1505 YK-4-279 753552\n",
      "1506 5-Fluorouracil 1298352\n",
      "1507 Nutlin-3a (-) 905955\n",
      "1508 GSK269962A 905984\n",
      "1509 KU-55933 907791\n",
      "1510 Gemcitabine 924106\n",
      "1511 VX-11e 722066\n",
      "1512 Vinblastine 1331048\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1513 BI-2536 1330972\n",
      "1514 Doramapimod 907057\n",
      "1515 YK-4-279 1322224\n",
      "1516 Dasatinib 924239\n",
      "1517 Dabrafenib 907053\n",
      "1518 PLX-4720 1240173\n",
      "1519 I-BET-762 906693\n",
      "1520 Ruxolitinib 905948\n",
      "1521 5-Fluorouracil 911905\n",
      "1522 Nutlin-3a (-) 1322224\n",
      "1523 AZD6482 1240222\n",
      "1524 Olaparib 753615\n",
      "1525 Palbociclib 907055\n",
      "1526 Ruxolitinib 907272\n",
      "1527 OSI-027 910921\n",
      "1528 Afatinib 907062\n",
      "1529 BI-2536 905942\n",
      "1530 Afatinib 909716\n",
      "1531 Entinostat 908150\n",
      "1532 Doramapimod 687590\n",
      "1533 Afatinib 724870\n",
      "1534 Navitoclax 946370\n",
      "1535 AZD6482 908457\n",
      "1536 Olaparib 909744\n",
      "1537 VX-11e 907323\n",
      "1538 Bortezomib 687448\n",
      "1539 NU7441 1503367\n",
      "1540 Gefitinib 906837\n",
      "1541 NU7441 906865\n",
      "1542 Gefitinib 930298\n",
      "1543 Olaparib 717431\n",
      "1544 PD0325901 1299078\n",
      "1545 Rapamycin 946355\n",
      "1546 BMS-754807 909977\n",
      "1547 Lapatinib 905952\n",
      "1548 GSK1904529A 753551\n",
      "1549 Lapatinib 910943\n",
      "1550 JQ1 1298134\n",
      "1551 Afatinib 907061\n",
      "1552 Sorafenib 905989\n",
      "1553 Luminespib 907789\n",
      "1554 Sepantronium bromide 1290455\n",
      "1555 GSK269962A 946355\n",
      "1556 RO-3306 905960\n",
      "1557 Tamoxifen 688025\n",
      "1558 NU7441 998184\n",
      "1559 ZM447439 906820\n",
      "1560 Sorafenib 749716\n",
      "1561 Pevonedistat 905984\n",
      "1562 Afatinib 1330964\n",
      "1563 NU7441 687807\n",
      "1564 AZD8055 924102\n",
      "1565 PLX-4720 687459\n",
      "1566 VX-11e 908149\n",
      "1567 JQ1 1240127\n",
      "1568 Lapatinib 908142\n",
      "1569 Luminespib 946361\n",
      "1570 VX-11e 1240187\n",
      "1571 NU7441 724855\n",
      "1572 Rapamycin 906861\n",
      "1573 Entinostat 753558\n",
      "1574 VX-11e 724839\n",
      "1575 Navitoclax 905964\n",
      "1576 Gefitinib 1247871\n",
      "1577 BMS-536924 908151\n",
      "1578 5-Fluorouracil 724859\n",
      "1579 BMS-754807 1299052\n",
      "1580 Ruxolitinib 907170\n",
      "1581 Tozasertib 908483\n",
      "1582 Axitinib 1503371\n",
      "1583 MK-2206 724839\n",
      "1584 Navitoclax 910924\n",
      "1585 Sepantronium bromide 749712\n",
      "1586 Dabrafenib 1298216\n",
      "1587 Axitinib 905978\n",
      "1588 Trametinib 949158\n",
      "1589 Pevonedistat 687561\n",
      "1590 AZD6482 688026\n",
      "1591 Ruxolitinib 905972\n",
      "1592 Nutlin-3a (-) 907057\n",
      "1593 Pictilisib 905990\n",
      "1594 Tozasertib 906842\n",
      "1595 Nutlin-3a (-) 1298134\n",
      "1596 OSI-027 910936\n",
      "1597 Docetaxel 749711\n",
      "1598 PF-4708671 905977\n",
      "1599 GSK1904529A 907321\n",
      "1600 YK-4-279 753610\n",
      "1601 Sepantronium bromide 909755\n",
      "1602 Tamoxifen 949156\n",
      "1603 MK-2206 1299064\n",
      "1604 OSI-027 907268\n",
      "1605 AZD8055 1297447\n",
      "1606 Olaparib 907322\n",
      "1607 GSK1904529A 910401\n",
      "1608 Olaparib 687821\n",
      "1609 BMS-536924 1240141\n",
      "1610 Sepantronium bromide 924102\n",
      "1611 Vorinostat 909698\n",
      "1612 GSK1904529A 907073\n",
      "1613 Dabrafenib 925338\n",
      "1614 Pictilisib 906846\n",
      "1615 Linsitinib 906861\n",
      "1616 Daporinad 907792\n",
      "1617 VX-11e 1330972\n",
      "1618 Nilotinib 907043\n",
      "1619 Luminespib 925347\n",
      "1620 AZD7762 753532\n",
      "1621 AZD6482 753594\n",
      "1622 WIKI4 1240129\n",
      "1623 PLX-4720 909260\n",
      "1624 Palbociclib 949172\n",
      "1625 BMS-754807 910695\n",
      "1626 Navitoclax 1298531\n",
      "1627 GSK269962A 1524416\n",
      "1628 Olaparib 907794\n",
      "1629 Cytarabine 724859\n",
      "1630 Afatinib 905936\n",
      "1631 Pictilisib 910781\n",
      "1632 Vinblastine 905968\n",
      "1633 Gefitinib 1240122\n",
      "1634 Sepantronium bromide 905965\n",
      "1635 BMS-754807 906793\n",
      "1636 Luminespib 908143\n",
      "1637 5-Fluorouracil 907320\n",
      "1638 Rapamycin 906870\n",
      "1639 Nutlin-3a (-) 910933\n",
      "1640 PD0325901 1503365\n",
      "1641 JQ1 1240208\n",
      "1642 Navitoclax 906693\n",
      "1643 BMS-536924 687798\n",
      "1644 AZD6482 749716\n",
      "1645 Linsitinib 1240197\n",
      "1646 Palbociclib 946360\n",
      "1647 Temozolomide 905989\n",
      "1648 Linsitinib 687459\n",
      "1649 Daporinad 949172\n",
      "1650 Olaparib 1240201\n",
      "1651 Dasatinib 910780\n",
      "1652 Obatoclax Mesylate 688026\n",
      "1653 MK-2206 905934\n",
      "1654 Lapatinib 905977\n",
      "1655 PF-4708671 1240122\n",
      "1656 Luminespib 909260\n",
      "1657 JQ1 1299062\n",
      "1658 Docetaxel 909907\n",
      "1659 Cytarabine 735784\n",
      "1660 Pictilisib 907268\n",
      "1661 Trametinib 1298538\n",
      "1662 Afatinib 1503363\n",
      "1663 PLX-4720 925346\n",
      "1664 Gefitinib 1240179\n",
      "1665 JQ1 724838\n",
      "1666 Nilotinib 910544\n",
      "1667 XAV939 906792\n",
      "1668 GSK269962A 910921\n",
      "1669 WIKI4 1240159\n",
      "1670 Daporinad 1479988\n",
      "1671 OSI-027 909754\n",
      "1672 Pictilisib 909701\n",
      "1673 Gefitinib 753562\n",
      "1674 Crizotinib 753616\n",
      "1675 YK-4-279 906805\n",
      "1676 Cytarabine 906746\n",
      "1677 YK-4-279 907064\n",
      "1678 PLX-4720 998184\n",
      "1679 Navitoclax 907277\n",
      "1680 BMS-536924 949090\n",
      "1681 SB216763 907311\n",
      "1682 Axitinib 1480362\n",
      "1683 Cytarabine 906828\n",
      "1684 XAV939 688006\n",
      "1685 Sorafenib 907073\n",
      "1686 BI-2536 910691\n",
      "1687 BMS-754807 910907\n",
      "1688 Dabrafenib 910695\n",
      "1689 Palbociclib 908446\n",
      "1690 PD173074 688001\n",
      "1691 Afatinib 906864\n",
      "1692 PLX-4720 1298226\n",
      "1693 PD0325901 910942\n",
      "1694 PD173074 1240179\n",
      "1695 Trametinib 1290769\n",
      "1696 Vorinostat 909774\n",
      "1697 Temozolomide 907318\n",
      "1698 OSI-027 910851\n",
      "1699 Axitinib 906795\n",
      "1700 Obatoclax Mesylate 925343\n",
      "1701 MK-2206 925341\n",
      "1702 Pevonedistat 908472\n",
      "1703 XAV939 908156\n",
      "1704 JQ1 724831\n",
      "1705 Gemcitabine 724834\n",
      "1706 SB216763 910937\n",
      "1707 Axitinib 907170\n",
      "1708 Cytarabine 906798\n",
      "1709 GSK269962A 1240145\n",
      "1710 Vinblastine 688023\n",
      "1711 AZD8055 1297449\n",
      "1712 Navitoclax 1330985\n",
      "1713 Temozolomide 753569\n",
      "1714 RO-3306 910906\n",
      "1715 Nutlin-3a (-) 905967\n",
      "1716 SB216763 906836\n",
      "1717 Gemcitabine 906826\n",
      "1718 AZD6482 906839\n",
      "1719 Pictilisib 949179\n",
      "1720 GSK269962A 684062\n",
      "1721 Olaparib 687562\n",
      "1722 Camptothecin 908144\n",
      "1723 Tamoxifen 753594\n",
      "1724 MK-2206 907290\n",
      "1725 WIKI4 909728\n",
      "1726 Gefitinib 909759\n",
      "1727 Erlotinib 910906\n",
      "1728 Olaparib 687506\n",
      "1729 BMS-754807 924110\n",
      "1730 Navitoclax 930298\n",
      "1731 PLX-4720 687600\n",
      "1732 5-Fluorouracil 1299059\n",
      "1733 Vorinostat 687514\n",
      "1734 Nutlin-3a (-) 687819\n",
      "1735 Camptothecin 908125\n",
      "1736 PLX-4720 905990\n",
      "1737 PD0325901 687452\n",
      "1738 Entinostat 909754\n",
      "1739 JQ1 905972\n",
      "1740 Nilotinib 1290765\n",
      "1741 VX-11e 909738\n",
      "1742 Gemcitabine 753554\n",
      "1743 Palbociclib 724868\n",
      "1744 GSK1904529A 1298219\n",
      "1745 Afatinib 908139\n",
      "1746 Daporinad 909753\n",
      "1747 Tozasertib 1330972\n",
      "1748 5-Fluorouracil 1331045\n",
      "1749 PLX-4720 908149\n",
      "1750 AZD7762 735784\n",
      "1751 Docetaxel 909713\n",
      "1752 Sepantronium bromide 907270\n",
      "1753 GSK1904529A 906835\n",
      "1754 Talazoparib 1298526\n",
      "1755 MK-2206 906837\n",
      "1756 VX-11e 905952\n",
      "1757 RO-3306 905952\n",
      "1758 Sepantronium bromide 906693\n",
      "1759 NU7441 907046\n",
      "1760 GSK269962A 753621\n",
      "1761 JQ1 687780\n",
      "1762 Olaparib 910905\n",
      "1763 JQ1 906765\n",
      "1764 BMS-536924 1240200\n",
      "1765 Dabrafenib 971773\n",
      "1766 Pictilisib 909718\n",
      "1767 Temozolomide 724872\n",
      "1768 Olaparib 749715\n",
      "1769 Sorafenib 907795\n",
      "1770 Ruxolitinib 1240184\n",
      "1771 ZM447439 909777\n",
      "1772 PD0325901 930083\n",
      "1773 Dactolisib 906837\n",
      "1774 Talazoparib 1297439\n",
      "1775 I-BET-762 713878\n",
      "1776 Ruxolitinib 1503363\n",
      "1777 Doramapimod 735784\n",
      "1778 Ruxolitinib 1295740\n",
      "1779 Doramapimod 1299080\n",
      "1780 Vorinostat 905969\n",
      "1781 Olaparib 946370\n",
      "1782 Ruxolitinib 907795\n",
      "1783 YK-4-279 724863\n",
      "1784 OSI-027 753546\n",
      "1785 Gefitinib 687562\n",
      "1786 Dabrafenib 1240190\n",
      "1787 GSK269962A 1299064\n",
      "1788 WIKI4 753612\n",
      "1789 Vorinostat 1240189\n",
      "1790 VX-11e 906696\n",
      "1791 GSK1904529A 907270\n",
      "1792 Vorinostat 949158\n",
      "1793 SB216763 753556\n",
      "1794 Navitoclax 909252\n",
      "1795 Axitinib 753532\n",
      "1796 Nutlin-3a (-) 1330931\n",
      "1797 WIKI4 949090\n",
      "1798 Doramapimod 909713\n",
      "1799 AZD7762 1240185\n",
      "1800 Nilotinib 1299081\n",
      "1801 Dactolisib 910932\n",
      "1802 KU-55933 1298539\n",
      "1803 KU-55933 909781\n",
      "1804 Temozolomide 1298146\n",
      "1805 PLX-4720 909718\n",
      "1806 JQ1 908445\n",
      "1807 Afatinib 906863\n",
      "1808 WIKI4 949093\n",
      "1809 Gemcitabine 910569\n",
      "1810 Luminespib 1330983\n",
      "1811 Doramapimod 1298358\n",
      "1812 Gefitinib 906835\n",
      "1813 Daporinad 910905\n",
      "1814 PLX-4720 753548\n",
      "1815 AZD6482 753576\n",
      "1816 OSI-027 924106\n",
      "1817 Vinblastine 909976\n",
      "1818 Docetaxel 905935\n",
      "1819 PD0325901 1240169\n",
      "1820 Gemcitabine 908131\n",
      "1821 Palbociclib 1298538\n",
      "1822 JQ1 909907\n",
      "1823 ZM447439 684059\n",
      "1824 JQ1 905940\n",
      "1825 Dabrafenib 910907\n",
      "1826 Trametinib 1327771\n",
      "1827 Dactolisib 1298169\n",
      "1828 GSK269962A 906842\n",
      "1829 Vorinostat 1290806\n",
      "1830 I-BET-762 946360\n",
      "1831 AZD6482 1240200\n",
      "1832 Docetaxel 909743\n",
      "1833 Talazoparib 905945\n",
      "1834 Docetaxel 910935\n",
      "1835 Olaparib 907044\n",
      "1836 Olaparib 1298151\n",
      "1837 Olaparib 1298529\n",
      "1838 Docetaxel 753575\n",
      "1839 AZD6482 1247871\n",
      "1840 Sepantronium bromide 925338\n",
      "1841 Afatinib 753623\n",
      "1842 Cytarabine 1240132\n",
      "1843 Talazoparib 907061\n",
      "1844 PD173074 687600\n",
      "1845 Gefitinib 688031\n",
      "1846 Vorinostat 753563\n",
      "1847 Pictilisib 909260\n",
      "1848 Pevonedistat 907065\n",
      "1849 Dabrafenib 949157\n",
      "1850 Obatoclax Mesylate 905977\n",
      "1851 Dabrafenib 907071\n",
      "1852 GSK269962A 753541\n",
      "1853 PD0325901 910951\n",
      "1854 Olaparib 1480371\n",
      "1855 Afatinib 1240127\n",
      "1856 YK-4-279 1298216\n",
      "1857 OSI-027 906812\n",
      "1858 Tamoxifen 905945\n",
      "1859 Dabrafenib 1240197\n",
      "1860 BMS-536924 910851\n",
      "1861 Olaparib 905937\n",
      "1862 PD173074 687563\n",
      "1863 Gefitinib 1290771\n",
      "1864 MK-2206 910948\n",
      "1865 BMS-345541 907058\n",
      "1866 PD173074 1503368\n",
      "1867 Afatinib 909781\n",
      "1868 Docetaxel 905946\n",
      "1869 Afatinib 1299075\n",
      "1870 Pevonedistat 688023\n",
      "1871 Axitinib 1297447\n",
      "1872 Dabrafenib 713899\n",
      "1873 Vorinostat 905958\n",
      "1874 Navitoclax 924238\n",
      "1875 Docetaxel 749716\n",
      "1876 Afatinib 909735\n",
      "1877 Pictilisib 905976\n",
      "1878 RO-3306 1240168\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1879 BMS-536924 908458\n",
      "1880 AZD6482 924102\n",
      "1881 Tamoxifen 910850\n",
      "1882 Trametinib 907792\n",
      "1883 GSK269962A 908447\n",
      "1884 Sepantronium bromide 910554\n",
      "1885 Docetaxel 907312\n",
      "1886 Afatinib 906808\n",
      "1887 GSK1904529A 905986\n",
      "1888 5-Fluorouracil 1240143\n",
      "1889 Vorinostat 908136\n",
      "1890 Sepantronium bromide 906855\n",
      "1891 Pictilisib 908457\n",
      "1892 Camptothecin 687586\n",
      "1893 Lapatinib 688001\n",
      "1894 Cytarabine 907065\n",
      "1895 AZD8055 909770\n",
      "1896 GSK269962A 908126\n",
      "1897 PF-4708671 906827\n",
      "1898 GSK269962A 909250\n",
      "1899 AZD8055 1298534\n",
      "1900 Entinostat 909723\n",
      "1901 Pevonedistat 905973\n",
      "1902 Pictilisib 908123\n",
      "1903 ZM447439 724855\n",
      "1904 Vorinostat 753539\n",
      "1905 Rapamycin 753548\n",
      "1906 BMS-536924 688018\n",
      "1907 MK-2206 924110\n",
      "1908 JQ1 910952\n",
      "1909 Luminespib 906832\n",
      "1910 Pictilisib 907170\n",
      "1911 BMS-345541 910710\n",
      "1912 NU7441 1297446\n",
      "1913 OSI-027 924110\n",
      "1914 AZD6482 687997\n",
      "1915 Luminespib 906844\n",
      "1916 5-Fluorouracil 908454\n",
      "1917 BMS-345541 1331032\n",
      "1918 Talazoparib 910568\n",
      "1919 Dabrafenib 909743\n",
      "1920 Afatinib 909759\n",
      "1921 Daporinad 1298169\n",
      "1922 RO-3306 1240202\n",
      "1923 JQ1 1240134\n",
      "1924 BMS-536924 753615\n",
      "1925 Navitoclax 1503363\n",
      "1926 Cytarabine 908125\n",
      "1927 XAV939 909260\n",
      "1928 XAV939 753572\n",
      "1929 MK-2206 907788\n",
      "1930 XAV939 910568\n",
      "1931 Linsitinib 905947\n",
      "1932 Ruxolitinib 1503368\n",
      "1933 YK-4-279 687997\n",
      "1934 AZD8055 1331049\n",
      "1935 Docetaxel 753539\n",
      "1936 Vorinostat 1240173\n",
      "1937 GSK269962A 906870\n",
      "1938 PLX-4720 909737\n",
      "1939 Nutlin-3a (-) 724878\n",
      "1940 OSI-027 687590\n",
      "1941 Bortezomib 925345\n",
      "1942 Ruxolitinib 1240190\n",
      "1943 JQ1 924110\n",
      "1944 Gefitinib 1299075\n",
      "1945 Linsitinib 1240193\n",
      "1946 PLX-4720 909703\n",
      "1947 MK-2206 910692\n",
      "1948 Dabrafenib 907000\n",
      "1949 Rapamycin 908467\n",
      "1950 Pevonedistat 1240132\n",
      "1951 Olaparib 687514\n",
      "1952 Dabrafenib 1660035\n",
      "1953 Pevonedistat 1330964\n",
      "1954 Nilotinib 687600\n",
      "1955 RO-3306 910926\n",
      "1956 Olaparib 908473\n",
      "1957 I-BET-762 907285\n",
      "1958 Axitinib 908459\n",
      "1959 Gefitinib 1789883\n",
      "1960 Vinblastine 907789\n",
      "1961 XAV939 753563\n",
      "1962 Dabrafenib 910951\n",
      "1963 KU-55933 908131\n",
      "1964 Camptothecin 753562\n",
      "1965 5-Fluorouracil 930083\n",
      "1966 OSI-027 1240226\n",
      "1967 JQ1 1298533\n",
      "1968 AZD7762 1298349\n",
      "1969 Afatinib 907000\n",
      "1970 BI-2536 910706\n",
      "1971 KU-55933 1299070\n",
      "1972 Docetaxel 907280\n",
      "1973 Bortezomib 949171\n",
      "1974 Obatoclax Mesylate 949177\n",
      "1975 PD0325901 908141\n",
      "1976 Linsitinib 907279\n",
      "1977 BI-2536 907290\n",
      "1978 Dactolisib 905948\n",
      "1979 Nutlin-3a (-) 905958\n",
      "1980 Temozolomide 907312\n",
      "1981 Pictilisib 1330964\n",
      "1982 Dabrafenib 1240131\n",
      "1983 GSK269962A 1297439\n",
      "1984 Olaparib 924151\n",
      "1985 Palbociclib 905934\n",
      "1986 Nutlin-3a (-) 909744\n",
      "1987 Cytarabine 910936\n",
      "1988 Tamoxifen 907321\n",
      "1989 WIKI4 906791\n",
      "1990 AZD6482 1240138\n",
      "1991 Doramapimod 908445\n",
      "1992 Pictilisib 910554\n",
      "1993 SB216763 908120\n",
      "1994 Docetaxel 1240121\n",
      "1995 Daporinad 1298365\n",
      "1996 Pictilisib 910694\n",
      "1997 Doramapimod 908151\n",
      "1998 Nilotinib 1480362\n",
      "1999 BI-2536 753547\n",
      "2000 WIKI4 753592\n",
      "2001 GSK269962A 907795\n",
      "2002 PD173074 909736\n",
      "2003 Vinblastine 949167\n",
      "2004 Temozolomide 687821\n",
      "2005 Luminespib 910853\n",
      "2006 Olaparib 1660035\n",
      "2007 Afatinib 688021\n",
      "2008 Cytarabine 1298358\n",
      "2009 Dabrafenib 906693\n",
      "2010 KU-55933 909250\n",
      "2011 Luminespib 910079\n",
      "2012 OSI-027 909735\n",
      "2013 PD173074 909750\n",
      "2014 Linsitinib 1240121\n",
      "2015 Pictilisib 1240132\n",
      "2016 Sepantronium bromide 909976\n",
      "2017 PF-4708671 906800\n",
      "2018 BMS-536924 908483\n",
      "2019 Pictilisib 910779\n",
      "2020 YK-4-279 910935\n",
      "2021 YK-4-279 1298349\n",
      "2022 PLX-4720 906763\n",
      "2023 RO-3306 753616\n",
      "2024 SB216763 907000\n",
      "2025 AZD6482 909743\n",
      "2026 Afatinib 908125\n",
      "2027 Vorinostat 1298475\n",
      "2028 PF-4708671 907295\n",
      "2029 5-Fluorouracil 1290812\n",
      "2030 Pevonedistat 924151\n",
      "2031 AZD6482 906821\n",
      "2032 JQ1 749714\n",
      "2033 JQ1 753592\n",
      "2034 Bortezomib 907789\n",
      "2035 Sepantronium bromide 1290795\n",
      "2036 Nilotinib 905936\n",
      "2037 KU-55933 749709\n",
      "2038 Gemcitabine 907299\n",
      "2039 Daporinad 1240184\n",
      "2040 Axitinib 753586\n",
      "2041 GSK269962A 687777\n",
      "2042 Daporinad 724872\n",
      "2043 BMS-536924 905940\n",
      "2044 Vorinostat 1322224\n",
      "2045 Doramapimod 1290455\n",
      "2046 BI-2536 906812\n",
      "2047 Dactolisib 753569\n",
      "2048 OSI-027 905945\n",
      "2049 AZD7762 687588\n",
      "2050 BMS-536924 1240153\n",
      "2051 Linsitinib 909256\n",
      "2052 KU-55933 687455\n",
      "2053 Trametinib 1298216\n",
      "2054 AZD6482 687514\n",
      "2055 Daporinad 905939\n",
      "2056 Talazoparib 906794\n",
      "2057 YK-4-279 1240193\n",
      "2058 Tozasertib 909785\n",
      "2059 JQ1 906836\n",
      "2060 Palbociclib 910903\n",
      "2061 GSK269962A 910943\n",
      "2062 Palbociclib 1240128\n",
      "2063 BMS-754807 910548\n",
      "2064 Olaparib 924102\n",
      "2065 Sepantronium bromide 749716\n",
      "2066 AZD6482 909702\n",
      "2067 Obatoclax Mesylate 907050\n",
      "2068 Dasatinib 906746\n",
      "2069 Vinblastine 909725\n",
      "2070 Ruxolitinib 907066\n",
      "2071 AZD7762 1660036\n",
      "2072 Camptothecin 905938\n",
      "2073 AZD8055 1322224\n",
      "2074 PD173074 949153\n",
      "2075 Tamoxifen 1240170\n",
      "2076 Pictilisib 1290814\n",
      "2077 5-Fluorouracil 1674021\n",
      "2078 Trametinib 909750\n",
      "2079 Axitinib 1503368\n",
      "2080 Pictilisib 910921\n",
      "2081 5-Fluorouracil 924107\n",
      "2082 Temozolomide 1298365\n",
      "2083 BMS-536924 909769\n",
      "2084 Pictilisib 1299080\n",
      "2085 Camptothecin 907273\n",
      "2086 BMS-536924 687983\n",
      "2087 BMS-536924 908146\n",
      "2088 Pictilisib 909257\n",
      "2089 Luminespib 949174\n",
      "2090 5-Fluorouracil 687514\n",
      "2091 YK-4-279 1240141\n",
      "2092 JQ1 1298349\n",
      "2093 Ruxolitinib 910706\n",
      "2094 GSK1904529A 910924\n",
      "2095 Linsitinib 907796\n",
      "2096 Axitinib 909779\n",
      "2097 Afatinib 907281\n",
      "2098 Afatinib 1290798\n",
      "2099 XAV939 925341\n",
      "2100 AZD6482 909751\n",
      "2101 Ruxolitinib 1503362\n",
      "2102 Afatinib 1299059\n",
      "2103 KU-55933 930297\n",
      "2104 GSK269962A 1303896\n",
      "2105 I-BET-762 1240190\n",
      "2106 Rapamycin 949164\n",
      "2107 GSK1904529A 1290724\n",
      "2108 Cytarabine 907169\n",
      "2109 KU-55933 905944\n",
      "2110 MK-2206 907073\n",
      "2111 ZM447439 906864\n",
      "2112 Vinblastine 910932\n",
      "2113 Luminespib 1298531\n",
      "2114 Olaparib 910943\n",
      "2115 PD173074 906861\n",
      "2116 Dactolisib 905957\n",
      "2117 Obatoclax Mesylate 1240192\n",
      "2118 KU-55933 910926\n",
      "2119 Pictilisib 1240158\n",
      "2120 Gefitinib 908143\n",
      "2121 Gefitinib 749712\n",
      "2122 XAV939 930297\n",
      "2123 Talazoparib 910784\n",
      "2124 Daporinad 908144\n",
      "2125 Gefitinib 925347\n",
      "2126 PLX-4720 910079\n",
      "2127 Temozolomide 749710\n",
      "2128 JQ1 722066\n",
      "2129 BMS-536924 908460\n",
      "2130 AZD7762 905949\n",
      "2131 OSI-027 908159\n",
      "2132 Crizotinib 910920\n",
      "2133 Docetaxel 1240140\n",
      "2134 Vorinostat 910951\n",
      "2135 PF-4708671 905972\n",
      "2136 GSK269962A 1330947\n",
      "2137 Olaparib 753547\n",
      "2138 Tamoxifen 753538\n",
      "2139 Paclitaxel 910932\n",
      "2140 ZM447439 1298538\n",
      "2141 PD0325901 908465\n",
      "2142 Linsitinib 906820\n",
      "2143 Nilotinib 909749\n",
      "2144 Gemcitabine 910710\n",
      "2145 PD173074 907280\n",
      "2146 NU7441 688021\n",
      "2147 Navitoclax 1240144\n",
      "2148 Docetaxel 905973\n",
      "2149 Axitinib 1240134\n",
      "2150 SB216763 1240134\n",
      "2151 PLX-4720 909753\n",
      "2152 Entinostat 949172\n",
      "2153 WIKI4 910692\n",
      "2154 Pevonedistat 907278\n",
      "2155 AZD8055 1479987\n",
      "2156 Daporinad 930297\n",
      "2157 KU-55933 753573\n",
      "2158 Bortezomib 907314\n",
      "2159 PLX-4720 907286\n",
      "2160 Afatinib 713880\n",
      "2161 VX-11e 906763\n",
      "2162 Afatinib 687457\n",
      "2163 NU7441 906693\n",
      "2164 I-BET-762 1240212\n",
      "2165 BMS-754807 1240223\n",
      "2166 RO-3306 687590\n",
      "2167 PD173074 907068\n",
      "2168 Pictilisib 1298151\n",
      "2169 MK-2206 1660034\n",
      "2170 YK-4-279 687452\n",
      "2171 BMS-345541 1298350\n",
      "2172 WIKI4 1298168\n",
      "2173 BMS-754807 924106\n",
      "2174 Gefitinib 908443\n",
      "2175 Dactolisib 1290810\n",
      "2176 5-Fluorouracil 910911\n",
      "2177 Tamoxifen 1240160\n",
      "2178 PD0325901 908146\n",
      "2179 KU-55933 949156\n",
      "2180 Bortezomib 753589\n",
      "2181 AZD6482 910934\n",
      "2182 Gemcitabine 906818\n",
      "2183 Palbociclib 908130\n",
      "2184 Erlotinib 1331050\n",
      "2185 PLX-4720 1660034\n",
      "2186 Paclitaxel 905989\n",
      "2187 Afatinib 910904\n",
      "2188 Vinblastine 684057\n",
      "2189 Afatinib 683665\n",
      "2190 Olaparib 998184\n",
      "2191 Afatinib 905970\n",
      "2192 Camptothecin 907791\n",
      "2193 GSK269962A 925340\n",
      "2194 BMS-345541 1330935\n",
      "2195 Nutlin-3a (-) 908446\n",
      "2196 Pevonedistat 753547\n",
      "2197 ZM447439 687568\n",
      "2198 NU7441 908457\n",
      "2199 Docetaxel 753576\n",
      "2200 BMS-536924 909976\n",
      "2201 Afatinib 906861\n",
      "2202 Afatinib 1290806\n",
      "2203 VX-11e 1240141\n",
      "2204 WIKI4 722046\n",
      "2205 Tamoxifen 1240143\n",
      "2206 MK-2206 1290905\n",
      "2207 GSK269962A 908463\n",
      "2208 AZD7762 1330993\n",
      "2209 Doramapimod 905978\n",
      "2210 Doramapimod 906804\n",
      "2211 Ruxolitinib 908122\n",
      "2212 MK-2206 905956\n",
      "2213 RO-3306 1240149\n",
      "2214 Pictilisib 687802\n",
      "2215 Camptothecin 905969\n",
      "2216 GSK1904529A 1240147\n",
      "2217 Gefitinib 907280\n",
      "2218 BMS-754807 1295740\n",
      "2219 Vorinostat 687561\n",
      "2220 XAV939 946361\n",
      "2221 GSK269962A 908144\n",
      "2222 BMS-345541 910924\n",
      "2223 PLX-4720 909709\n",
      "2224 Pictilisib 753546\n",
      "2225 Pictilisib 1298222\n",
      "2226 RO-3306 910569\n",
      "2227 Dactolisib 924107\n",
      "2228 Pevonedistat 909251\n",
      "2229 AZD8055 910568\n",
      "2230 Talazoparib 1240198\n",
      "2231 Linsitinib 687812\n",
      "2232 Olaparib 1298475\n",
      "2233 Pictilisib 1240170\n",
      "2234 RO-3306 1298534\n",
      "2235 JQ1 910952\n",
      "2236 Olaparib 949157\n",
      "2237 Docetaxel 910927\n",
      "2238 Cytarabine 1330942\n",
      "2239 Rapamycin 905965\n",
      "2240 Daporinad 1330973\n",
      "2241 ZM447439 1503365\n",
      "2242 NU7441 749711\n",
      "2243 Luminespib 924111\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2244 AZD8055 909252\n",
      "2245 KU-55933 908132\n",
      "2246 Gefitinib 907791\n",
      "2247 Linsitinib 909759\n",
      "2248 Linsitinib 910694\n",
      "2249 Navitoclax 924110\n",
      "2250 GSK269962A 909251\n",
      "2251 BMS-754807 1240217\n",
      "2252 PLX-4720 908454\n",
      "2253 AZD8055 1240168\n",
      "2254 Gemcitabine 1240154\n",
      "2255 BI-2536 1331040\n",
      "2256 RO-3306 1330931\n",
      "2257 Gemcitabine 753572\n",
      "2258 5-Fluorouracil 687588\n",
      "2259 NU7441 908131\n",
      "2260 Nutlin-3a (-) 1503361\n",
      "2261 YK-4-279 1240174\n",
      "2262 RO-3306 753621\n",
      "2263 BI-2536 906875\n",
      "2264 PD173074 753538\n",
      "2265 Dactolisib 687995\n",
      "2266 Vinblastine 907065\n",
      "2267 AZD7762 917486\n",
      "2268 AZD7762 1240127\n",
      "2269 Entinostat 905965\n",
      "2270 Gemcitabine 910852\n",
      "2271 YK-4-279 1327766\n",
      "2272 MK-2206 910688\n",
      "2273 BMS-754807 688027\n",
      "2274 PLX-4720 1298359\n",
      "2275 YK-4-279 909720\n",
      "2276 Afatinib 1503362\n",
      "2277 Sepantronium bromide 907064\n",
      "2278 YK-4-279 909252\n",
      "2279 WIKI4 1298359\n",
      "2280 Paclitaxel 910706\n",
      "2281 AZD7762 1290769\n",
      "2282 YK-4-279 908444\n",
      "2283 KU-55933 910920\n",
      "2284 AZD7762 909725\n",
      "2285 GSK269962A 1290922\n",
      "2286 Afatinib 910568\n",
      "2287 Gemcitabine 910694\n",
      "2288 PD0325901 910915\n",
      "2289 BMS-754807 907295\n",
      "2290 Daporinad 907047\n",
      "2291 Lapatinib 905990\n",
      "2292 XAV939 753621\n",
      "2293 GSK269962A 907279\n",
      "2294 I-BET-762 924108\n",
      "2295 Luminespib 724834\n",
      "2296 Temozolomide 906846\n",
      "2297 BMS-536924 1299052\n",
      "2298 PLX-4720 909743\n",
      "2299 XAV939 909784\n",
      "2300 Nilotinib 1297446\n",
      "2301 Vorinostat 753618\n",
      "2302 Vorinostat 1331049\n",
      "2303 Rapamycin 949156\n",
      "2304 Olaparib 909697\n",
      "2305 Sepantronium bromide 688018\n",
      "2306 SB216763 909698\n",
      "2307 SB216763 910710\n",
      "2308 PF-4708671 905960\n",
      "2309 Gemcitabine 906873\n",
      "2310 PLX-4720 905976\n",
      "2311 MK-2206 1298216\n",
      "2312 JQ1 906852\n",
      "2313 Olaparib 905942\n",
      "2314 Talazoparib 1299070\n",
      "2315 Lapatinib 1327769\n",
      "2316 Sepantronium bromide 1330972\n",
      "2317 MK-2206 687997\n",
      "2318 YK-4-279 907068\n",
      "2319 Camptothecin 687985\n",
      "2320 PD0325901 753554\n",
      "2321 Olaparib 949163\n",
      "2322 AZD6482 907055\n",
      "2323 Crizotinib 949155\n",
      "2324 GSK269962A 905986\n",
      "2325 XAV939 1297449\n",
      "2326 Rapamycin 909256\n",
      "2327 AZD6482 906746\n",
      "2328 Crizotinib 905986\n",
      "2329 JQ1 1290795\n",
      "2330 YK-4-279 1331040\n",
      "2331 WIKI4 907273\n",
      "2332 PD0325901 1331037\n",
      "2333 Navitoclax 905961\n",
      "2334 AZD6482 713880\n",
      "2335 ZM447439 909750\n",
      "2336 Gemcitabine 753565\n",
      "2337 Axitinib 1299080\n",
      "2338 Axitinib 907269\n",
      "2339 Gemcitabine 908141\n",
      "2340 Gemcitabine 908467\n",
      "2341 I-BET-762 724838\n",
      "2342 AZD7762 909709\n",
      "2343 5-Fluorouracil 907313\n",
      "2344 JQ1 713880\n",
      "2345 Cytarabine 905980\n",
      "2346 MK-2206 910920\n",
      "2347 BMS-345541 753612\n",
      "2348 MK-2206 1240124\n",
      "2349 Palbociclib 949090\n",
      "2350 Crizotinib 905990\n",
      "2351 XAV939 1240223\n",
      "2352 GSK269962A 906830\n",
      "2353 Afatinib 905964\n",
      "2354 Vorinostat 1330995\n",
      "2355 OSI-027 906828\n",
      "2356 NU7441 907290\n",
      "2357 Paclitaxel 1247871\n",
      "2358 PD173074 906818\n",
      "2359 Temozolomide 753532\n",
      "2360 BI-2536 1327769\n",
      "2361 Crizotinib 906872\n",
      "2362 Talazoparib 688013\n",
      "2363 GSK1904529A 1330987\n",
      "2364 Talazoparib 1299080\n",
      "2365 Pictilisib 687568\n",
      "2366 Cytarabine 724878\n",
      "2367 XAV939 1480371\n",
      "2368 Luminespib 1240153\n",
      "2369 BMS-754807 1290813\n",
      "2370 Linsitinib 908460\n",
      "2371 PF-4708671 1240160\n",
      "2372 GSK269962A 910710\n",
      "2373 AZD6482 1331036\n",
      "2374 GSK1904529A 1240184\n",
      "2375 XAV939 724866\n",
      "2376 PLX-4720 1240140\n",
      "2377 OSI-027 906821\n",
      "2378 JQ1 1240186\n",
      "2379 Tamoxifen 949163\n",
      "2380 Afatinib 908444\n",
      "2381 Nilotinib 1298475\n",
      "2382 BMS-536924 753616\n",
      "2383 Luminespib 1299070\n",
      "2384 JQ1 753576\n",
      "2385 Linsitinib 907319\n",
      "2386 AZD7762 908460\n",
      "2387 5-Fluorouracil 907044\n",
      "2388 Gemcitabine 1295741\n",
      "2389 Paclitaxel 907270\n",
      "2390 WIKI4 907072\n",
      "2391 SB216763 1290730\n",
      "2392 VX-11e 906805\n",
      "2393 JQ1 1240158\n",
      "2394 Crizotinib 907278\n",
      "2395 Tamoxifen 1298219\n",
      "2396 Afatinib 907053\n",
      "2397 GSK269962A 905959\n",
      "2398 BMS-345541 905945\n",
      "2399 JQ1 908150\n",
      "2400 Luminespib 909777\n",
      "2401 Olaparib 1674021\n",
      "2402 Daporinad 906843\n",
      "2403 I-BET-762 909779\n",
      "2404 PD0325901 753583\n",
      "2405 Camptothecin 910944\n",
      "2406 Olaparib 753621\n",
      "2407 Doramapimod 1297449\n",
      "2408 AZD6482 908445\n",
      "2409 SB216763 909260\n",
      "2410 Pevonedistat 905949\n",
      "2411 Gemcitabine 687816\n",
      "2412 Dabrafenib 905959\n",
      "2413 PD173074 1789883\n",
      "2414 AZD7762 1240160\n",
      "2415 Gefitinib 946368\n",
      "2416 Pevonedistat 1240174\n",
      "2417 VX-11e 905958\n",
      "2418 SB216763 908454\n",
      "2419 Nilotinib 1240129\n",
      "2420 AZD6482 910401\n",
      "2421 AZD6482 909779\n",
      "2422 Cytarabine 906847\n",
      "2423 Bortezomib 909756\n",
      "2424 VX-11e 924102\n",
      "2425 Olaparib 1240168\n",
      "2426 Temozolomide 909777\n",
      "2427 5-Fluorouracil 688087\n",
      "2428 Entinostat 905940\n",
      "2429 RO-3306 688006\n",
      "2430 Doramapimod 1240200\n",
      "2431 Camptothecin 753532\n",
      "2432 PD173074 908440\n",
      "2433 YK-4-279 906831\n",
      "2434 Sepantronium bromide 908152\n",
      "2435 XAV939 910911\n",
      "2436 AZD7762 910932\n",
      "2437 PLX-4720 1503366\n",
      "2438 AZD6482 1330941\n",
      "2439 Dabrafenib 1240186\n",
      "2440 Luminespib 909748\n",
      "2441 RO-3306 910920\n",
      "2442 Gefitinib 684072\n",
      "2443 Pictilisib 753565\n",
      "2444 Obatoclax Mesylate 1240183\n",
      "2445 Olaparib 909976\n",
      "2446 RO-3306 910933\n",
      "2447 Afatinib 906862\n",
      "2448 AZD6482 907042\n",
      "2449 Afatinib 910710\n",
      "2450 KU-55933 924110\n",
      "2451 Cytarabine 908483\n",
      "2452 NU7441 1303896\n",
      "2453 Gefitinib 946356\n",
      "2454 Gefitinib 1240202\n",
      "2455 BMS-754807 909975\n",
      "2456 JQ1 924239\n",
      "2457 Vorinostat 909248\n",
      "2458 Ruxolitinib 924111\n",
      "2459 Vinblastine 924100\n",
      "2460 SB216763 906765\n",
      "2461 AZD7762 910692\n",
      "2462 Olaparib 906812\n",
      "2463 BMS-536924 924110\n",
      "2464 PLX-4720 1240157\n",
      "2465 JQ1 905971\n",
      "2466 Olaparib 906855\n",
      "2467 ZM447439 907313\n",
      "2468 Ruxolitinib 908457\n",
      "2469 Pictilisib 910569\n",
      "2470 AZD6482 906797\n",
      "2471 Nutlin-3a (-) 1298223\n",
      "2472 PF-4708671 909759\n",
      "2473 AZD7762 907317\n",
      "2474 Afatinib 908475\n",
      "2475 Linsitinib 906835\n",
      "2476 JQ1 1240184\n",
      "2477 BMS-536924 909743\n",
      "2478 AZD6482 1298151\n",
      "2479 KU-55933 1240219\n",
      "2480 ZM447439 753575\n",
      "2481 RO-3306 1298348\n",
      "2482 Pictilisib 1290730\n",
      "2483 Afatinib 909778\n",
      "2484 I-BET-762 909774\n",
      "2485 BMS-754807 906765\n",
      "2486 GSK269962A 1330942\n",
      "2487 RO-3306 1240221\n",
      "2488 I-BET-762 946361\n",
      "2489 Daporinad 909720\n",
      "2490 SB216763 1240173\n",
      "2491 Linsitinib 1290905\n",
      "2492 BMS-754807 907281\n",
      "2493 Tozasertib 906746\n",
      "2494 Ruxolitinib 717431\n",
      "2495 Obatoclax Mesylate 1322224\n",
      "2496 MK-2206 908459\n",
      "2497 Tamoxifen 1503367\n",
      "2498 YK-4-279 910952\n",
      "2499 Afatinib 905977\n",
      "2500 Trametinib 908121\n",
      "2501 I-BET-762 1298347\n",
      "2502 JQ1 687448\n",
      "2503 Navitoclax 907068\n",
      "2504 I-BET-762 907314\n",
      "2505 Obatoclax Mesylate 753541\n",
      "2506 Nilotinib 906872\n",
      "2507 GSK1904529A 907055\n",
      "2508 Docetaxel 684072\n",
      "2509 Dabrafenib 907044\n",
      "2510 PD173074 1240153\n",
      "2511 Axitinib 909725\n",
      "2512 Afatinib 909751\n",
      "2513 Gefitinib 908471\n",
      "2514 Tozasertib 908467\n",
      "2515 Dactolisib 1240162\n",
      "2516 NU7441 1660035\n",
      "2517 NU7441 906877\n",
      "2518 Docetaxel 908134\n",
      "2519 Afatinib 909779\n",
      "2520 Navitoclax 1240179\n",
      "2521 AZD6482 907044\n",
      "2522 KU-55933 1298537\n",
      "2523 PF-4708671 908457\n",
      "2524 Nilotinib 909777\n",
      "2525 Vorinostat 909731\n",
      "2526 BMS-345541 905947\n",
      "2527 I-BET-762 1247873\n",
      "2528 PD0325901 908150\n",
      "2529 Tamoxifen 1240147\n",
      "2530 Cytarabine 1240223\n",
      "2531 BMS-536924 907791\n",
      "2532 PF-4708671 907276\n",
      "2533 AZD8055 905969\n",
      "2534 GSK269962A 1290455\n",
      "2535 Vorinostat 907055\n",
      "2536 Nutlin-3a (-) 1290797\n",
      "2537 Palbociclib 910849\n",
      "2538 JQ1 909250\n",
      "2539 Nilotinib 909728\n",
      "2540 Tozasertib 753623\n",
      "2541 Obatoclax Mesylate 687983\n",
      "2542 PF-4708671 909736\n",
      "2543 Bortezomib 908152\n",
      "2544 Sepantronium bromide 1480362\n",
      "2545 Ruxolitinib 688027\n",
      "2546 Vinblastine 749712\n",
      "2547 JQ1 907313\n",
      "2548 NU7441 906800\n",
      "2549 GSK269962A 1297446\n",
      "2550 I-BET-762 910780\n",
      "2551 Olaparib 1240159\n",
      "2552 GSK269962A 908461\n",
      "2553 Vinblastine 906873\n",
      "2554 VX-11e 1290922\n",
      "2555 PD173074 906827\n",
      "2556 OSI-027 1297449\n",
      "2557 AZD7762 906832\n",
      "2558 Afatinib 906870\n",
      "2559 YK-4-279 906798\n",
      "2560 Pictilisib 1297449\n",
      "2561 Pictilisib 688027\n",
      "2562 KU-55933 924187\n",
      "2563 Temozolomide 905986\n",
      "2564 Gefitinib 1298218\n",
      "2565 Lapatinib 907795\n",
      "2566 Temozolomide 905942\n",
      "2567 Gemcitabine 908451\n",
      "2568 Tamoxifen 907791\n",
      "2569 XAV939 753548\n",
      "2570 Sorafenib 1330987\n",
      "2571 Docetaxel 907058\n",
      "2572 AZD8055 684072\n",
      "2573 Crizotinib 908467\n",
      "2574 Dactolisib 753532\n",
      "2575 AZD7762 910943\n",
      "2576 GSK1904529A 910689\n",
      "2577 5-Fluorouracil 925341\n",
      "2578 GSK1904529A 908129\n",
      "2579 Camptothecin 753563\n",
      "2580 PLX-4720 908483\n",
      "2581 Cytarabine 905962\n",
      "2582 Cytarabine 1298168\n",
      "2583 Docetaxel 909781\n",
      "2584 Gefitinib 905952\n",
      "2585 Cytarabine 907789\n",
      "2586 I-BET-762 1240134\n",
      "2587 Palbociclib 1240154\n",
      "2588 YK-4-279 1303896\n",
      "2589 Trametinib 1240124\n",
      "2590 SB216763 1298216\n",
      "2591 ZM447439 907783\n",
      "2592 Obatoclax Mesylate 1330947\n",
      "2593 Pictilisib 909249\n",
      "2594 GSK269962A 687816\n",
      "2595 Talazoparib 1298352\n",
      "2596 Rapamycin 907170\n",
      "2597 YK-4-279 905934\n",
      "2598 RO-3306 906863\n",
      "2599 Temozolomide 753541\n",
      "2600 GSK269962A 907313\n",
      "2601 Tamoxifen 905936\n",
      "2602 Obatoclax Mesylate 907281\n",
      "2603 Afatinib 1240198\n",
      "2604 GSK269962A 946359\n",
      "2605 Nutlin-3a (-) 1240189\n",
      "2606 AZD6482 946353\n",
      "2607 WIKI4 1299078\n",
      "2608 BMS-754807 906861\n",
      "2609 JQ1 1298352\n",
      "2610 Ruxolitinib 907045\n",
      "2611 Sepantronium bromide 1480371\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2612 KU-55933 1240198\n",
      "2613 Entinostat 924110\n",
      "2614 5-Fluorouracil 924151\n",
      "2615 Sepantronium bromide 905975\n",
      "2616 Afatinib 909698\n",
      "2617 I-BET-762 911905\n",
      "2618 VX-11e 753554\n",
      "2619 Dabrafenib 753555\n",
      "2620 Olaparib 687448\n",
      "2621 ZM447439 687820\n",
      "2622 WIKI4 724855\n",
      "2623 Vorinostat 1247873\n",
      "2624 BMS-345541 1240192\n",
      "2625 AZD6482 909770\n",
      "2626 JQ1 1240155\n",
      "2627 Axitinib 687586\n",
      "2628 JQ1 905956\n",
      "2629 BMS-536924 907322\n",
      "2630 Axitinib 1240215\n",
      "2631 OSI-027 907280\n",
      "2632 I-BET-762 1240184\n",
      "2633 I-BET-762 907170\n",
      "2634 Dactolisib 910694\n",
      "2635 Camptothecin 906835\n",
      "2636 JQ1 907322\n",
      "2637 Gemcitabine 908120\n",
      "2638 PD0325901 1240128\n",
      "2639 Vinblastine 1240162\n",
      "2640 Cytarabine 909738\n",
      "2641 Olaparib 1290922\n",
      "2642 Pevonedistat 910944\n",
      "2643 Olaparib 907789\n",
      "2644 OSI-027 1503366\n",
      "2645 Navitoclax 908483\n",
      "2646 Vinblastine 687506\n",
      "2647 Olaparib 1330993\n",
      "2648 SB216763 1298349\n",
      "2649 I-BET-762 908462\n",
      "2650 Afatinib 906800\n",
      "2651 BMS-345541 753586\n",
      "2652 XAV939 907312\n",
      "2653 JQ1 907000\n",
      "2654 PLX-4720 908130\n",
      "2655 XAV939 907173\n",
      "2656 GSK1904529A 1240122\n",
      "2657 PLX-4720 924110\n",
      "2658 Dabrafenib 908123\n",
      "2659 OSI-027 925343\n",
      "2660 Sepantronium bromide 1297446\n",
      "2661 Tamoxifen 688023\n",
      "2662 MK-2206 1290813\n",
      "2663 BMS-536924 949160\n",
      "2664 Camptothecin 1240142\n",
      "2665 GSK269962A 1330935\n",
      "2666 AZD6482 1290797\n",
      "2667 PD173074 753608\n",
      "2668 Nutlin-3a (-) 687798\n",
      "2669 Olaparib 753573\n",
      "2670 Dabrafenib 910934\n",
      "2671 GSK1904529A 905990\n",
      "2672 GSK1904529A 905950\n",
      "2673 Pevonedistat 909721\n",
      "2674 Olaparib 907066\n",
      "2675 WIKI4 1290814\n",
      "2676 Temozolomide 687802\n",
      "2677 AZD6482 906805\n",
      "2678 Ruxolitinib 907320\n",
      "2679 Cytarabine 905950\n",
      "2680 PD0325901 908139\n",
      "2681 GSK1904529A 1240167\n",
      "2682 YK-4-279 907318\n",
      "2683 NU7441 1331049\n",
      "2684 Tamoxifen 908463\n",
      "2685 NU7441 907272\n",
      "2686 AZD8055 1290806\n",
      "2687 I-BET-762 1240142\n",
      "2688 GSK1904529A 1290455\n",
      "2689 KU-55933 906855\n",
      "2690 Afatinib 907044\n",
      "2691 Vorinostat 907064\n",
      "2692 Gefitinib 906795\n",
      "2693 YK-4-279 949172\n",
      "2694 Olaparib 908483\n",
      "2695 Dabrafenib 906821\n",
      "2696 PD173074 908138\n",
      "2697 Sepantronium bromide 910900\n",
      "2698 PLX-4720 1503371\n",
      "2699 PD0325901 905936\n",
      "2700 BMS-345541 753592\n",
      "2701 BMS-345541 753585\n",
      "2702 WIKI4 907311\n",
      "2703 RO-3306 1331040\n",
      "2704 OSI-027 905942\n",
      "2705 Temozolomide 687561\n",
      "2706 Nutlin-3a (-) 905952\n",
      "2707 Sepantronium bromide 1330933\n",
      "2708 Linsitinib 909704\n",
      "2709 Ruxolitinib 910916\n",
      "2710 AZD7762 907000\n",
      "2711 Tamoxifen 925340\n",
      "2712 XAV939 909759\n",
      "2713 PF-4708671 906801\n",
      "2714 NU7441 906868\n",
      "2715 Tozasertib 908149\n",
      "2716 PLX-4720 910904\n",
      "2717 OSI-027 749714\n",
      "2718 PD173074 906871\n",
      "2719 JQ1 907055\n",
      "2720 Obatoclax Mesylate 905986\n",
      "2721 Bortezomib 910933\n",
      "2722 WIKI4 908443\n",
      "2723 RO-3306 1330985\n",
      "2724 XAV939 1331039\n",
      "2725 Daporinad 910907\n",
      "2726 Paclitaxel 905942\n",
      "2727 Nutlin-3a (-) 1240127\n",
      "2728 NU7441 908440\n",
      "2729 Axitinib 906765\n",
      "2730 Nilotinib 906818\n",
      "2731 Pevonedistat 908134\n",
      "2732 JQ1 753620\n",
      "2733 XAV939 946382\n",
      "2734 Doramapimod 688014\n",
      "2735 Temozolomide 906828\n",
      "2736 GSK269962A 687457\n",
      "2737 Pevonedistat 909735\n",
      "2738 AZD6482 909257\n",
      "2739 XAV939 907046\n",
      "2740 RO-3306 1660036\n",
      "2741 Temozolomide 1331039\n",
      "2742 Linsitinib 910702\n",
      "2743 MK-2206 722066\n",
      "2744 Palbociclib 1240183\n",
      "2745 XAV939 909729\n",
      "2746 Dactolisib 909740\n",
      "2747 Dasatinib 1240193\n",
      "2748 Cytarabine 907279\n",
      "2749 AZD6482 1290730\n",
      "2750 Axitinib 753615\n",
      "2751 Sorafenib 688121\n",
      "2752 MK-2206 1240143\n",
      "2753 Gemcitabine 749717\n",
      "2754 Nilotinib 949155\n",
      "2755 Temozolomide 1240130\n",
      "2756 AZD8055 1299052\n",
      "2757 Doramapimod 1240144\n",
      "2758 Talazoparib 909699\n",
      "2759 SB216763 946357\n",
      "2760 PLX-4720 684052\n",
      "2761 MK-2206 1240181\n",
      "2762 ZM447439 949090\n",
      "2763 Trametinib 907280\n",
      "2764 Cytarabine 910951\n",
      "2765 Sepantronium bromide 909748\n",
      "2766 JQ1 907062\n",
      "2767 Gemcitabine 910921\n",
      "2768 Palbociclib 1240144\n",
      "2769 OSI-027 910947\n",
      "2770 Tamoxifen 905957\n",
      "2771 Dactolisib 905986\n",
      "2772 Nutlin-3a (-) 1330935\n",
      "2773 I-BET-762 688086\n",
      "2774 PD0325901 1298134\n",
      "2775 Pictilisib 713869\n",
      "2776 Rapamycin 907053\n",
      "2777 Tamoxifen 998184\n",
      "2778 JQ1 909781\n",
      "2779 Vorinostat 906833\n",
      "2780 Afatinib 949160\n",
      "2781 Linsitinib 949164\n",
      "2782 Olaparib 1240216\n",
      "2783 Obatoclax Mesylate 907320\n",
      "2784 Pevonedistat 908463\n",
      "2785 Vinblastine 907295\n",
      "2786 Afatinib 1290769\n",
      "2787 Vorinostat 908151\n",
      "2788 PLX-4720 1240138\n",
      "2789 RO-3306 1503366\n",
      "2790 Doramapimod 908483\n",
      "2791 Pevonedistat 1330942\n",
      "2792 Obatoclax Mesylate 1247871\n",
      "2793 BMS-754807 1240149\n",
      "2794 BMS-536924 907043\n",
      "2795 Pictilisib 949158\n",
      "2796 AZD7762 687820\n",
      "2797 Ruxolitinib 1247873\n",
      "2798 Tamoxifen 905955\n",
      "2799 AZD6482 687448\n",
      "2800 Dactolisib 909251\n",
      "2801 Trametinib 753620\n",
      "2802 PD0325901 906812\n",
      "2803 Talazoparib 905989\n",
      "2804 BMS-345541 1298526\n",
      "2805 Pictilisib 688121\n",
      "2806 KU-55933 1298146\n",
      "2807 Obatoclax Mesylate 724839\n",
      "2808 Navitoclax 687586\n",
      "2809 Luminespib 749715\n",
      "2810 Olaparib 907318\n",
      "2811 BMS-754807 908136\n",
      "2812 BMS-536924 906862\n",
      "2813 Cytarabine 910691\n",
      "2814 OSI-027 908158\n",
      "2815 NU7441 910915\n",
      "2816 GSK1904529A 905975\n",
      "2817 AZD6482 907312\n",
      "2818 Dactolisib 906790\n",
      "2819 PD173074 909721\n",
      "2820 AZD6482 910569\n",
      "2821 BMS-345541 949156\n",
      "2822 AZD6482 753573\n",
      "2823 KU-55933 1503370\n",
      "2824 Afatinib 909698\n",
      "2825 GSK269962A 1290771\n",
      "2826 Crizotinib 905974\n",
      "2827 Axitinib 907289\n",
      "2828 Pictilisib 683665\n",
      "2829 BMS-536924 1330972\n",
      "2830 Temozolomide 946368\n",
      "2831 Dabrafenib 908483\n",
      "2832 PLX-4720 909756\n",
      "2833 Luminespib 909736\n",
      "2834 NU7441 907055\n",
      "2835 Navitoclax 924105\n",
      "2836 PLX-4720 905977\n",
      "2837 GSK269962A 1330972\n",
      "2838 Palbociclib 1330983\n",
      "2839 PD0325901 724872\n",
      "2840 JQ1 909977\n",
      "2841 NU7441 949179\n",
      "2842 BMS-754807 1240181\n",
      "2843 Olaparib 749716\n",
      "2844 PD173074 905969\n",
      "2845 Erlotinib 907311\n",
      "2846 Gefitinib 1240162\n",
      "2847 OSI-027 946370\n",
      "2848 GSK269962A 907073\n",
      "2849 WIKI4 910702\n",
      "2850 Doramapimod 908145\n",
      "2851 Dactolisib 753565\n",
      "2852 Vinblastine 908121\n",
      "2853 AZD6482 753562\n",
      "2854 Gefitinib 909774\n",
      "2855 JQ1 908483\n",
      "2856 PLX-4720 688014\n",
      "2857 WIKI4 909757\n",
      "2858 BI-2536 907794\n",
      "2859 PLX-4720 1240138\n",
      "2860 AZD8055 687514\n",
      "2861 I-BET-762 949178\n",
      "2862 NU7441 687787\n",
      "2863 Dabrafenib 688031\n",
      "2864 BMS-754807 1331039\n",
      "2865 Camptothecin 910948\n",
      "2866 Docetaxel 1660034\n",
      "2867 Temozolomide 910705\n",
      "2868 OSI-027 906847\n",
      "2869 OSI-027 910944\n",
      "2870 PD0325901 1240154\n",
      "2871 Afatinib 1298157\n",
      "2872 GSK269962A 946359\n",
      "2873 PF-4708671 749714\n",
      "2874 Bortezomib 907044\n",
      "2875 Olaparib 907271\n",
      "2876 PF-4708671 909704\n",
      "2877 BMS-754807 1330931\n",
      "2878 NU7441 924110\n",
      "2879 Olaparib 930082\n",
      "2880 Axitinib 908475\n",
      "2881 AZD7762 1303896\n",
      "2882 Entinostat 949166\n",
      "2883 KU-55933 908462\n",
      "2884 Dasatinib 908148\n",
      "2885 PD173074 909773\n",
      "2886 Trametinib 949167\n",
      "2887 PLX-4720 753538\n",
      "2888 Daporinad 946382\n",
      "2889 Nilotinib 908158\n",
      "2890 Erlotinib 905972\n",
      "2891 Docetaxel 688010\n",
      "2892 AZD8055 907787\n",
      "2893 Obatoclax Mesylate 1298538\n",
      "2894 Luminespib 907060\n",
      "2895 KU-55933 906826\n",
      "2896 Trametinib 906872\n",
      "2897 BI-2536 753551\n",
      "2898 PLX-4720 687452\n",
      "2899 Luminespib 909251\n",
      "2900 Cytarabine 905968\n",
      "2901 NU7441 687802\n",
      "2902 Lapatinib 1240221\n",
      "2903 Axitinib 1299075\n",
      "2904 GSK269962A 753592\n",
      "2905 Rapamycin 724872\n",
      "2906 GSK269962A 687829\n",
      "2907 Ruxolitinib 1299081\n",
      "2908 AZD8055 683665\n",
      "2909 Docetaxel 1660035\n",
      "2910 AZD6482 907060\n",
      "2911 AZD6482 910910\n",
      "2912 XAV939 753538\n",
      "2913 PLX-4720 687457\n",
      "2914 XAV939 1240146\n",
      "2915 JQ1 909774\n",
      "2916 Nutlin-3a (-) 1298537\n",
      "2917 KU-55933 910943\n",
      "2918 BMS-345541 908462\n",
      "2919 Linsitinib 908470\n",
      "2920 PD0325901 909750\n",
      "2921 Doramapimod 1240151\n",
      "2922 Nutlin-3a (-) 905938\n",
      "2923 BMS-754807 753541\n",
      "2924 Pictilisib 905950\n",
      "2925 BMS-536924 688001\n",
      "2926 Talazoparib 905948\n",
      "2927 MK-2206 924104\n",
      "2928 Tozasertib 910948\n",
      "2929 BI-2536 907281\n",
      "2930 BI-2536 908136\n",
      "2931 Camptothecin 1240199\n",
      "2932 Gefitinib 907046\n",
      "2933 Erlotinib 946356\n",
      "2934 BMS-536924 1290771\n",
      "2935 Olaparib 1331038\n",
      "2936 BMS-754807 688010\n",
      "2937 JQ1 1290722\n",
      "2938 MK-2206 907787\n",
      "2939 Pictilisib 908475\n",
      "2940 JQ1 906824\n",
      "2941 Doramapimod 909749\n",
      "2942 Erlotinib 907280\n",
      "2943 Ruxolitinib 687799\n",
      "2944 5-Fluorouracil 907065\n",
      "2945 PD173074 1240174\n",
      "2946 WIKI4 949160\n",
      "2947 RO-3306 909729\n",
      "2948 Nutlin-3a (-) 1290798\n",
      "2949 AZD6482 905989\n",
      "2950 Afatinib 1290724\n",
      "2951 YK-4-279 910927\n",
      "2952 JQ1 909756\n",
      "2953 Ruxolitinib 1298151\n",
      "2954 Tamoxifen 905942\n",
      "2955 GSK269962A 1240181\n",
      "2956 PD0325901 1330973\n",
      "2957 PF-4708671 687812\n",
      "2958 Dactolisib 906868\n",
      "2959 Daporinad 1240143\n",
      "2960 XAV939 946353\n",
      "2961 Nilotinib 1290769\n",
      "2962 Axitinib 906833\n",
      "2963 WIKI4 906851\n",
      "2964 BMS-345541 753555\n",
      "2965 Daporinad 1290813\n",
      "2966 KU-55933 907289\n",
      "2967 Daporinad 1479987\n",
      "2968 Entinostat 909703\n",
      "2969 Temozolomide 1290798\n",
      "2970 BMS-345541 906844\n",
      "2971 Docetaxel 908145\n",
      "2972 Docetaxel 906846\n",
      "2973 PLX-4720 906868\n",
      "2974 Vinblastine 910944\n",
      "2975 JQ1 1299081\n",
      "2976 Vorinostat 907317\n",
      "2977 PLX-4720 1240134\n",
      "2978 ZM447439 924244\n",
      "2979 Crizotinib 906794\n",
      "2980 JQ1 1330973\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2981 BMS-536924 924240\n",
      "2982 Olaparib 753610\n",
      "2983 Gemcitabine 910924\n",
      "2984 Palbociclib 909708\n",
      "2985 AZD6482 949156\n",
      "2986 Talazoparib 907269\n",
      "2987 BMS-345541 910706\n",
      "2988 PD173074 1240212\n",
      "2989 Vinblastine 906693\n",
      "2990 PLX-4720 1240157\n",
      "2991 AZD8055 1509073\n",
      "2992 Gefitinib 905989\n",
      "2993 WIKI4 909781\n",
      "2994 Dactolisib 1299062\n",
      "2995 Dabrafenib 906856\n",
      "2996 Dabrafenib 908442\n",
      "2997 Dabrafenib 908136\n",
      "2998 Dabrafenib 1240198\n",
      "2999 BMS-754807 905947\n",
      "3000 Sepantronium bromide 687780\n",
      "3001 Crizotinib 753532\n",
      "3002 5-Fluorouracil 1298365\n",
      "3003 Luminespib 1298357\n",
      "3004 5-Fluorouracil 687820\n",
      "3005 Linsitinib 908121\n",
      "3006 BMS-536924 753612\n",
      "3007 Rapamycin 753616\n",
      "3008 Dactolisib 949090\n",
      "3009 Docetaxel 1240170\n",
      "3010 MK-2206 910687\n",
      "3011 ZM447439 949177\n",
      "3012 5-Fluorouracil 687798\n",
      "3013 AZD6482 1290798\n",
      "3014 Paclitaxel 688001\n",
      "3015 XAV939 910903\n",
      "3016 Dabrafenib 924102\n",
      "3017 Sepantronium bromide 910703\n",
      "3018 I-BET-762 1240170\n",
      "3019 Olaparib 908460\n",
      "3020 PD0325901 909757\n",
      "3021 Obatoclax Mesylate 909708\n",
      "3022 WIKI4 910568\n",
      "3023 I-BET-762 908448\n",
      "3024 JQ1 908122\n",
      "3025 GSK1904529A 1290814\n",
      "3026 PF-4708671 905951\n",
      "3027 GSK269962A 910692\n",
      "3028 GSK269962A 1240137\n",
      "3029 PD173074 906830\n",
      "3030 Paclitaxel 908446\n",
      "3031 PD0325901 949094\n",
      "3032 AZD6482 910936\n",
      "3033 Vorinostat 909743\n",
      "3034 AZD7762 907072\n",
      "3035 SB216763 925343\n",
      "3036 I-BET-762 946359\n",
      "3037 GSK1904529A 909736\n",
      "3038 RO-3306 907312\n",
      "3039 Cytarabine 924186\n",
      "3040 GSK269962A 908451\n",
      "3041 Navitoclax 1331039\n",
      "3042 Cytarabine 949160\n",
      "3043 Pevonedistat 905952\n",
      "3044 Afatinib 909728\n",
      "3045 PD173074 1290908\n",
      "3046 Pictilisib 1503367\n",
      "3047 AZD6482 909262\n",
      "3048 Linsitinib 753594\n",
      "3049 Vorinostat 907323\n",
      "3050 Bortezomib 1240183\n",
      "3051 AZD6482 1240146\n",
      "3052 PD0325901 1298352\n",
      "3053 GSK269962A 909977\n",
      "3054 Crizotinib 909743\n",
      "3055 Afatinib 687590\n",
      "3056 Olaparib 749717\n",
      "3057 Doramapimod 908123\n",
      "3058 Navitoclax 688023\n",
      "3059 PF-4708671 907275\n",
      "3060 Camptothecin 906793\n",
      "3061 PD173074 1503365\n",
      "3062 Trametinib 907047\n",
      "3063 I-BET-762 909720\n",
      "3064 Ruxolitinib 753566\n",
      "3065 Trametinib 906831\n",
      "3066 PF-4708671 946370\n",
      "3067 Tamoxifen 1503365\n",
      "3068 Olaparib 687802\n",
      "3069 PD173074 905936\n",
      "3070 PF-4708671 687561\n",
      "3071 XAV939 910554\n",
      "3072 Luminespib 907290\n",
      "3073 Obatoclax Mesylate 908125\n",
      "3074 Nilotinib 909778\n",
      "3075 GSK1904529A 909725\n",
      "3076 ZM447439 1240157\n",
      "3077 OSI-027 688021\n",
      "3078 GSK269962A 907788\n",
      "3079 Afatinib 907321\n",
      "3080 Obatoclax Mesylate 687600\n",
      "3081 Pictilisib 946359\n",
      "3082 AZD7762 1240130\n",
      "3083 Olaparib 1240186\n",
      "3084 Palbociclib 909761\n",
      "3085 BMS-536924 907269\n",
      "3086 Rapamycin 907787\n",
      "3087 Navitoclax 1480371\n",
      "3088 Ruxolitinib 908129\n",
      "3089 BMS-345541 1299070\n",
      "3090 Pictilisib 753584\n",
      "3091 RO-3306 908476\n",
      "3092 Pictilisib 910706\n",
      "3093 Gemcitabine 909704\n",
      "3094 Sepantronium bromide 724834\n",
      "3095 BMS-536924 910947\n",
      "3096 WIKI4 688087\n",
      "3097 Gemcitabine 908134\n",
      "3098 Dabrafenib 906820\n",
      "3099 Dactolisib 1240151\n",
      "3100 PF-4708671 687821\n",
      "3101 Linsitinib 1298358\n",
      "3102 Obatoclax Mesylate 687452\n",
      "3103 Daporinad 908444\n",
      "3104 YK-4-279 1331038\n",
      "3105 Pictilisib 909779\n",
      "3106 PD173074 910700\n",
      "3107 I-BET-762 905958\n",
      "3108 JQ1 907318\n",
      "3109 Tamoxifen 688011\n",
      "3110 Entinostat 907273\n",
      "3111 Temozolomide 907067\n",
      "3112 Tozasertib 910691\n",
      "3113 Nilotinib 909781\n",
      "3114 Linsitinib 908145\n",
      "3115 Doramapimod 1503364\n",
      "3116 VX-11e 906821\n",
      "3117 Pictilisib 1240212\n",
      "3118 5-Fluorouracil 906869\n",
      "3119 RO-3306 908465\n",
      "3120 BMS-536924 910704\n",
      "3121 AZD7762 1240157\n",
      "3122 Entinostat 917486\n",
      "3123 Dasatinib 909717\n",
      "3124 I-BET-762 1299081\n",
      "3125 YK-4-279 909704\n",
      "3126 BMS-754807 687985\n",
      "3127 Daporinad 687568\n",
      "3128 JQ1 909731\n",
      "3129 VX-11e 906847\n",
      "3130 I-BET-762 724828\n",
      "3131 Lapatinib 906763\n",
      "3132 Pictilisib 1330931\n",
      "3133 Palbociclib 753584\n",
      "3134 RO-3306 906804\n",
      "3135 Luminespib 1247873\n",
      "3136 Lapatinib 906831\n",
      "3137 Temozolomide 924104\n",
      "3138 JQ1 907319\n",
      "3139 Vinblastine 1240132\n",
      "3140 OSI-027 1330985\n",
      "3141 Dactolisib 687983\n",
      "3142 Daporinad 1298357\n",
      "3143 PF-4708671 909717\n",
      "3144 Linsitinib 1299059\n",
      "3145 AZD8055 907317\n",
      "3146 Ruxolitinib 909776\n",
      "3147 Tozasertib 910947\n",
      "3148 Axitinib 1331040\n",
      "3149 Luminespib 908128\n",
      "3150 I-BET-762 925347\n",
      "3151 Daporinad 1240167\n",
      "3152 Doramapimod 753585\n",
      "3153 Doramapimod 905933\n",
      "3154 RO-3306 1331045\n",
      "3155 AZD6482 753556\n",
      "3156 PD173074 907278\n",
      "3157 Olaparib 909785\n",
      "3158 YK-4-279 1299078\n",
      "3159 Vorinostat 906846\n",
      "3160 Cytarabine 688021\n",
      "3161 Sepantronium bromide 1240217\n",
      "3162 KU-55933 908448\n",
      "3163 Trametinib 1240136\n",
      "3164 PLX-4720 688023\n",
      "3165 PLX-4720 907788\n",
      "3166 PF-4708671 906828\n",
      "3167 Tamoxifen 688018\n",
      "3168 Sepantronium bromide 1298537\n",
      "3169 PLX-4720 1240158\n",
      "3170 AZD6482 1240155\n",
      "3171 Daporinad 1240223\n",
      "3172 Axitinib 724838\n",
      "3173 Nilotinib 946361\n",
      "3174 5-Fluorouracil 1290808\n",
      "3175 AZD6482 910710\n",
      "3176 Doramapimod 1298476\n",
      "3177 PD173074 908483\n",
      "3178 PLX-4720 908463\n",
      "3179 XAV939 907796\n",
      "3180 Trametinib 905949\n",
      "3181 RO-3306 1240142\n",
      "3182 Talazoparib 1240179\n",
      "3183 PLX-4720 1240198\n",
      "3184 NU7441 905965\n",
      "3185 Tamoxifen 910703\n",
      "3186 Temozolomide 1298534\n",
      "3187 Olaparib 1327771\n",
      "3188 Olaparib 925348\n",
      "3189 VX-11e 687798\n",
      "3190 AZD6482 907787\n",
      "3191 AZD8055 908152\n",
      "3192 Ruxolitinib 910915\n",
      "3193 Pevonedistat 906746\n",
      "3194 XAV939 909750\n",
      "3195 Trametinib 946355\n",
      "3196 Pevonedistat 905968\n",
      "3197 Cytarabine 910915\n",
      "3198 AZD6482 907000\n",
      "3199 Camptothecin 910691\n",
      "3200 Ruxolitinib 1297449\n",
      "3201 RO-3306 906693\n",
      "3202 PLX-4720 949094\n",
      "3203 Temozolomide 1330931\n",
      "3204 Navitoclax 907312\n",
      "3205 AZD6482 905978\n",
      "3206 Sepantronium bromide 909708\n",
      "3207 GSK1904529A 924100\n",
      "3208 JQ1 724873\n",
      "3209 I-BET-762 910926\n",
      "3210 WIKI4 753554\n",
      "3211 PLX-4720 905935\n",
      "3212 Daporinad 910695\n",
      "3213 KU-55933 905952\n",
      "3214 MK-2206 906817\n",
      "3215 Afatinib 1331050\n",
      "3216 Sepantronium bromide 1240222\n",
      "3217 Tozasertib 908142\n",
      "3218 Nilotinib 906793\n",
      "3219 Afatinib 1299062\n",
      "3220 OSI-027 909761\n",
      "3221 Ruxolitinib 753552\n",
      "3222 Temozolomide 1240190\n",
      "3223 BMS-345541 907048\n",
      "3224 AZD8055 1298134\n",
      "3225 Camptothecin 907783\n",
      "3226 KU-55933 909249\n",
      "3227 BMS-754807 907061\n",
      "3228 Pictilisib 971773\n",
      "3229 NU7441 907068\n",
      "3230 Bortezomib 688014\n",
      "3231 Doramapimod 949160\n",
      "3232 BMS-754807 753608\n",
      "3233 GSK269962A 908442\n",
      "3234 5-Fluorouracil 1240192\n",
      "3235 Pictilisib 1299050\n",
      "3236 Pictilisib 753583\n",
      "3237 Talazoparib 910849\n",
      "3238 Talazoparib 910710\n",
      "3239 BMS-345541 907794\n",
      "3240 Cytarabine 1240200\n",
      "3241 JQ1 907073\n",
      "3242 YK-4-279 907789\n",
      "3243 JQ1 946356\n",
      "3244 Talazoparib 907322\n",
      "3245 OSI-027 1240149\n",
      "3246 MK-2206 753573\n",
      "3247 Docetaxel 1322224\n",
      "3248 XAV939 1330950\n",
      "3249 Afatinib 905938\n",
      "3250 Dasatinib 949171\n",
      "3251 Linsitinib 949157\n",
      "3252 PLX-4720 1240154\n",
      "3253 PD173074 946361\n",
      "3254 WIKI4 687815\n",
      "3255 KU-55933 908136\n",
      "3256 BMS-345541 749710\n",
      "3257 Afatinib 1240212\n",
      "3258 NU7441 907286\n",
      "3259 Linsitinib 907322\n",
      "3260 PLX-4720 1297449\n",
      "3261 PLX-4720 906873\n",
      "3262 Crizotinib 909717\n",
      "3263 Linsitinib 907048\n",
      "3264 Olaparib 1290724\n",
      "3265 AZD6482 907270\n",
      "3266 Pevonedistat 1331038\n",
      "3267 AZD6482 905983\n",
      "3268 Dasatinib 1330933\n",
      "3269 JQ1 910694\n",
      "3270 ZM447439 907064\n",
      "3271 Ruxolitinib 724839\n",
      "3272 Lapatinib 909702\n",
      "3273 Doramapimod 753551\n",
      "3274 KU-55933 907046\n",
      "3275 Dactolisib 1660035\n",
      "3276 ZM447439 1290808\n",
      "3277 5-Fluorouracil 909257\n",
      "3278 Axitinib 924250\n",
      "3279 Sepantronium bromide 906843\n",
      "3280 OSI-027 909251\n",
      "3281 Axitinib 907055\n",
      "3282 Dactolisib 907046\n",
      "3283 JQ1 906828\n",
      "3284 Sepantronium bromide 910548\n",
      "3285 JQ1 1240136\n",
      "3286 AZD6482 909756\n",
      "3287 XAV939 687590\n",
      "3288 AZD6482 908470\n",
      "3289 Luminespib 910932\n",
      "3290 5-Fluorouracil 907295\n",
      "3291 Axitinib 1240212\n",
      "3292 Cytarabine 906797\n",
      "3293 Vorinostat 905970\n",
      "3294 Crizotinib 971773\n",
      "3295 BMS-345541 905935\n",
      "3296 Dactolisib 684062\n",
      "3297 AZD7762 908150\n",
      "3298 BI-2536 908451\n",
      "3299 Afatinib 907051\n",
      "3300 Nilotinib 907314\n",
      "3301 JQ1 905967\n",
      "3302 GSK1904529A 749714\n",
      "3303 I-BET-762 906808\n",
      "3304 Linsitinib 907000\n",
      "3305 Luminespib 946355\n",
      "3306 Crizotinib 905938\n",
      "3307 BMS-754807 687995\n",
      "3308 MK-2206 906861\n",
      "3309 NU7441 905959\n",
      "3310 Trametinib 909248\n",
      "3311 Nutlin-3a (-) 1240215\n",
      "3312 BMS-754807 907274\n",
      "3313 Linsitinib 749713\n",
      "3314 YK-4-279 687514\n",
      "3315 Docetaxel 909731\n",
      "3316 AZD8055 908465\n",
      "3317 Gemcitabine 1240197\n",
      "3318 AZD8055 1299070\n",
      "3319 Ruxolitinib 753555\n",
      "3320 GSK1904529A 905933\n",
      "3321 Nilotinib 907062\n",
      "3322 AZD8055 1240157\n",
      "3323 Talazoparib 753615\n",
      "3324 Docetaxel 1330935\n",
      "3325 Linsitinib 1298169\n",
      "3326 Tamoxifen 907173\n",
      "3327 Pevonedistat 949153\n",
      "3328 Olaparib 910906\n",
      "3329 XAV939 1240186\n",
      "3330 XAV939 906853\n",
      "3331 Talazoparib 753618\n",
      "3332 Ruxolitinib 688018\n",
      "3333 PF-4708671 1290905\n",
      "3334 Cytarabine 1290730\n",
      "3335 YK-4-279 924107\n",
      "3336 ZM447439 910947\n",
      "3337 PF-4708671 905945\n",
      "3338 Pictilisib 905945\n",
      "3339 BI-2536 1303896\n",
      "3340 Axitinib 1303900\n",
      "3341 RO-3306 908483\n",
      "3342 Sepantronium bromide 687807\n",
      "3343 BMS-754807 724831\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3344 Daporinad 905937\n",
      "3345 YK-4-279 924100\n",
      "3346 PD173074 906826\n",
      "3347 Luminespib 907312\n",
      "3348 Vinblastine 909905\n",
      "3349 Dasatinib 1303897\n",
      "3350 Pictilisib 909252\n",
      "3351 Paclitaxel 909769\n",
      "3352 RO-3306 749715\n",
      "3353 Docetaxel 908143\n",
      "3354 Linsitinib 905955\n",
      "3355 Docetaxel 1240183\n",
      "3356 Entinostat 753585\n",
      "3357 Axitinib 908443\n",
      "3358 VX-11e 930298\n",
      "3359 AZD7762 753616\n",
      "3360 Nilotinib 907792\n",
      "3361 PLX-4720 909784\n",
      "3362 AZD6482 906865\n",
      "3363 Olaparib 907060\n",
      "3364 VX-11e 909977\n",
      "3365 Dabrafenib 1240210\n",
      "3366 Docetaxel 1290797\n",
      "3367 MK-2206 1298359\n",
      "3368 Trametinib 909696\n",
      "3369 BMS-754807 1298529\n",
      "3370 Olaparib 908136\n",
      "3371 5-Fluorouracil 1240183\n",
      "3372 PLX-4720 1240146\n",
      "3373 Afatinib 1240202\n",
      "3374 VX-11e 907298\n",
      "3375 PD0325901 909904\n",
      "3376 GSK269962A 1299070\n",
      "3377 Olaparib 930083\n",
      "3378 Cytarabine 1240154\n",
      "3379 WIKI4 1240218\n",
      "3380 ZM447439 909701\n",
      "3381 AZD6482 906849\n",
      "3382 Navitoclax 906844\n",
      "3383 GSK269962A 910853\n",
      "3384 OSI-027 684059\n",
      "3385 Talazoparib 906795\n",
      "3386 Navitoclax 749716\n",
      "3387 YK-4-279 753621\n",
      "3388 Axitinib 687807\n",
      "3389 Tozasertib 1247871\n",
      "3390 GSK1904529A 909773\n",
      "3391 I-BET-762 907274\n",
      "3392 XAV939 1330941\n",
      "3393 GSK1904529A 949094\n",
      "3394 Ruxolitinib 906877\n",
      "3395 PF-4708671 910079\n",
      "3396 BMS-754807 905934\n",
      "3397 PD0325901 907277\n",
      "3398 PD0325901 908156\n",
      "3399 I-BET-762 717431\n",
      "3400 Afatinib 1240122\n",
      "3401 Camptothecin 1290724\n",
      "3402 Palbociclib 906746\n",
      "3403 Pevonedistat 907057\n",
      "3404 Navitoclax 909975\n",
      "3405 AZD7762 905940\n",
      "3406 Afatinib 910694\n",
      "3407 Obatoclax Mesylate 905972\n",
      "3408 Talazoparib 924186\n",
      "3409 PD173074 1240222\n",
      "3410 Gemcitabine 1297449\n",
      "3411 BMS-536924 735784\n",
      "3412 Axitinib 998189\n",
      "3413 SB216763 1240226\n",
      "3414 AZD6482 1240158\n",
      "3415 Pictilisib 687459\n",
      "3416 Cytarabine 687452\n",
      "3417 Camptothecin 687995\n",
      "3418 YK-4-279 905946\n",
      "3419 Gemcitabine 724831\n",
      "3420 AZD8055 910903\n",
      "3421 BMS-536924 910927\n",
      "3422 PLX-4720 907290\n",
      "3423 Afatinib 1290905\n",
      "3424 5-Fluorouracil 687505\n",
      "3425 Trametinib 687821\n",
      "3426 GSK269962A 909703\n",
      "3427 NU7441 753554\n",
      "3428 BMS-754807 1240155\n",
      "3429 Luminespib 1298537\n",
      "3430 AZD8055 908126\n",
      "3431 PF-4708671 907286\n",
      "3432 Pevonedistat 910687\n",
      "3433 Dabrafenib 909260\n",
      "3434 Navitoclax 910935\n",
      "3435 VX-11e 735784\n",
      "3436 GSK269962A 908470\n",
      "3437 Trametinib 1298358\n",
      "3438 Pictilisib 949166\n",
      "3439 Obatoclax Mesylate 687459\n",
      "3440 Sepantronium bromide 722066\n",
      "3441 BMS-754807 1240142\n",
      "3442 Palbociclib 910687\n",
      "3443 Talazoparib 907173\n",
      "3444 BMS-345541 906835\n",
      "3445 NU7441 905986\n",
      "3446 PLX-4720 1240190\n",
      "3447 XAV939 905941\n",
      "3448 Pevonedistat 1240216\n",
      "3449 AZD7762 1298529\n",
      "3450 Dabrafenib 908143\n",
      "3451 AZD7762 1331040\n",
      "3452 Erlotinib 946358\n",
      "3453 PF-4708671 1290798\n",
      "3454 BMS-536924 1298365\n",
      "3455 GSK1904529A 908150\n",
      "3456 Sorafenib 905942\n",
      "3457 XAV939 905945\n",
      "3458 AZD8055 905984\n",
      "3459 PD173074 753589\n",
      "3460 Daporinad 906834\n",
      "3461 Sepantronium bromide 905978\n",
      "3462 Lapatinib 908136\n",
      "3463 Camptothecin 910853\n",
      "3464 Palbociclib 906839\n",
      "3465 Gemcitabine 1322224\n",
      "3466 5-Fluorouracil 753610\n",
      "3467 Docetaxel 910920\n",
      "3468 GSK1904529A 907169\n",
      "3469 Gemcitabine 906852\n",
      "3470 BMS-345541 909751\n",
      "3471 Olaparib 908445\n",
      "3472 Afatinib 1240185\n",
      "3473 I-BET-762 1298476\n",
      "3474 Obatoclax Mesylate 909255\n",
      "3475 Doramapimod 909729\n",
      "3476 SB216763 907273\n",
      "3477 VX-11e 906826\n",
      "3478 AZD8055 1290769\n",
      "3479 Talazoparib 910920\n",
      "3480 PLX-4720 946370\n",
      "3481 OSI-027 906808\n",
      "3482 JQ1 1240151\n",
      "3483 Doramapimod 907268\n",
      "3484 Vinblastine 908442\n",
      "3485 XAV939 1299050\n",
      "3486 AZD7762 908446\n",
      "3487 BMS-536924 753552\n",
      "3488 Afatinib 1240166\n",
      "3489 Luminespib 908483\n",
      "3490 Pevonedistat 909250\n",
      "3491 Temozolomide 683665\n",
      "3492 Olaparib 907311\n",
      "3493 Axitinib 1503365\n",
      "3494 I-BET-762 1240168\n",
      "3495 BI-2536 906846\n",
      "3496 Vorinostat 1297447\n",
      "3497 MK-2206 1298219\n",
      "3498 Crizotinib 1290769\n",
      "3499 Crizotinib 909701\n",
      "3500 Dactolisib 1298533\n",
      "3501 VX-11e 1327775\n",
      "3502 GSK1904529A 1290722\n",
      "3503 Navitoclax 1298349\n",
      "3504 GSK1904529A 946356\n",
      "3505 I-BET-762 910544\n",
      "3506 BMS-536924 1298151\n",
      "3507 PF-4708671 908445\n",
      "3508 MK-2206 907783\n",
      "3509 AZD6482 1298157\n",
      "3510 GSK269962A 909777\n",
      "3511 GSK269962A 909735\n",
      "3512 5-Fluorouracil 910904\n",
      "3513 Palbociclib 910780\n",
      "3514 BMS-536924 1240128\n",
      "3515 Talazoparib 910924\n",
      "3516 BMS-536924 910911\n",
      "3517 PF-4708671 1299059\n",
      "3518 Olaparib 1240144\n",
      "3519 Talazoparib 949155\n",
      "3520 Crizotinib 909769\n",
      "3521 GSK1904529A 910911\n",
      "3522 Talazoparib 924110\n",
      "3523 PLX-4720 910703\n",
      "3524 Olaparib 907323\n",
      "3525 Trametinib 1298226\n",
      "3526 SB216763 1290795\n",
      "3527 AZD6482 908158\n",
      "3528 Bortezomib 1322224\n",
      "3529 Gefitinib 910694\n",
      "3530 Talazoparib 906835\n",
      "3531 Sepantronium bromide 908451\n",
      "3532 Dactolisib 907783\n",
      "3533 Axitinib 1290808\n",
      "3534 RO-3306 905938\n",
      "3535 Olaparib 909704\n",
      "3536 JQ1 910904\n",
      "3537 WIKI4 907046\n",
      "3538 AZD6482 909255\n",
      "3539 Afatinib 1298352\n",
      "3540 GSK269962A 687815\n",
      "3541 XAV939 906877\n",
      "3542 PD173074 907065\n",
      "3543 PD173074 905951\n",
      "3544 BI-2536 905964\n",
      "3545 Linsitinib 908459\n",
      "3546 I-BET-762 684052\n",
      "3547 Dactolisib 687819\n",
      "3548 GSK269962A 906812\n",
      "3549 BI-2536 1240128\n",
      "3550 WIKI4 907073\n",
      "3551 Nutlin-3a (-) 910401\n",
      "3552 BMS-536924 753558\n",
      "3553 Obatoclax Mesylate 687780\n",
      "3554 Temozolomide 908158\n",
      "3555 Vinblastine 910689\n",
      "3556 PLX-4720 688058\n",
      "3557 Pictilisib 753600\n",
      "3558 NU7441 1330931\n",
      "3559 Obatoclax Mesylate 908443\n",
      "3560 AZD7762 998189\n",
      "3561 PLX-4720 908448\n",
      "3562 Tamoxifen 1327771\n",
      "3563 PLX-4720 1240185\n",
      "3564 Daporinad 1299062\n",
      "3565 Nutlin-3a (-) 909757\n",
      "3566 5-Fluorouracil 909260\n",
      "3567 VX-11e 910079\n",
      "3568 Talazoparib 910549\n",
      "3569 Luminespib 906828\n",
      "3570 PD0325901 908457\n",
      "3571 AZD6482 909709\n",
      "3572 Palbociclib 1240190\n",
      "3573 Vinblastine 1290765\n",
      "3574 OSI-027 1303912\n",
      "3575 Luminespib 1290813\n",
      "3576 AZD7762 905955\n",
      "3577 AZD6482 688025\n",
      "3578 Daporinad 1299081\n",
      "3579 Docetaxel 925341\n",
      "3580 Olaparib 909748\n",
      "3581 PD173074 909744\n",
      "3582 Afatinib 1509073\n",
      "3583 Nutlin-3a (-) 949164\n",
      "3584 Navitoclax 687568\n",
      "3585 Daporinad 946353\n",
      "3586 5-Fluorouracil 684062\n",
      "3587 Trametinib 1240202\n",
      "3588 Afatinib 905979\n",
      "3589 Olaparib 906824\n",
      "3590 Trametinib 1240146\n",
      "3591 PD173074 753539\n",
      "3592 Tamoxifen 1290769\n",
      "3593 Vinblastine 910694\n",
      "3594 GSK1904529A 905946\n",
      "3595 Obatoclax Mesylate 753621\n",
      "3596 Talazoparib 907290\n",
      "3597 JQ1 1240132\n",
      "3598 Crizotinib 910905\n",
      "3599 AZD8055 1240170\n",
      "3600 Pevonedistat 910924\n",
      "3601 OSI-027 1298169\n",
      "3602 Olaparib 753532\n",
      "3603 JQ1 905934\n",
      "3604 OSI-027 1298223\n",
      "3605 Nilotinib 908123\n",
      "3606 Vinblastine 1297447\n",
      "3607 Vinblastine 1240189\n",
      "3608 PLX-4720 1298219\n",
      "3609 Pictilisib 687600\n",
      "3610 SB216763 724825\n",
      "3611 Afatinib 1331048\n",
      "3612 NU7441 907313\n",
      "3613 Ruxolitinib 910922\n",
      "3614 PD173074 946357\n",
      "3615 PLX-4720 1298475\n",
      "3616 BMS-536924 907279\n",
      "3617 AZD8055 906871\n",
      "3618 Vorinostat 909720\n",
      "3619 BMS-345541 909777\n",
      "3620 Camptothecin 909698\n",
      "3621 Nutlin-3a (-) 908470\n",
      "3622 AZD7762 908123\n",
      "3623 Tamoxifen 753569\n",
      "3624 Olaparib 910780\n",
      "3625 Daporinad 905942\n",
      "3626 BMS-536924 688006\n",
      "3627 Axitinib 924110\n",
      "3628 Dactolisib 687799\n",
      "3629 NU7441 906834\n",
      "3630 Tamoxifen 909251\n",
      "3631 Navitoclax 909709\n",
      "3632 AZD6482 687802\n",
      "3633 BI-2536 1331050\n",
      "3634 Lapatinib 905964\n",
      "3635 Bortezomib 907787\n",
      "3636 Axitinib 906798\n",
      "3637 MK-2206 908461\n",
      "3638 Temozolomide 909785\n",
      "3639 GSK1904529A 1247871\n",
      "3640 AZD6482 1299059\n",
      "3641 RO-3306 1240223\n",
      "3642 Olaparib 1322224\n",
      "3643 Docetaxel 910926\n",
      "3644 AZD7762 1240162\n",
      "3645 RO-3306 1331049\n",
      "3646 Camptothecin 910921\n",
      "3647 NU7441 906804\n",
      "3648 Olaparib 1297439\n",
      "3649 Nilotinib 753561\n",
      "3650 5-Fluorouracil 908446\n",
      "3651 Tamoxifen 1290808\n",
      "3652 Dabrafenib 1240123\n",
      "3653 Paclitaxel 949156\n",
      "3654 PLX-4720 910948\n",
      "3655 GSK269962A 910780\n",
      "3656 I-BET-762 909785\n",
      "3657 BMS-536924 687802\n",
      "3658 PF-4708671 906865\n",
      "3659 KU-55933 1330931\n",
      "3660 Dabrafenib 905983\n",
      "3661 PLX-4720 906827\n",
      "3662 JQ1 924240\n",
      "3663 KU-55933 906864\n",
      "3664 PF-4708671 910951\n",
      "3665 Nilotinib 1297449\n",
      "3666 SB216763 906820\n",
      "3667 Pictilisib 687452\n",
      "3668 VX-11e 910941\n",
      "3669 Tamoxifen 909745\n",
      "3670 YK-4-279 687816\n",
      "3671 Rapamycin 907056\n",
      "3672 Olaparib 906864\n",
      "3673 BMS-536924 910692\n",
      "3674 WIKI4 905991\n",
      "3675 Bortezomib 906832\n",
      "3676 PD173074 1240138\n",
      "3677 Afatinib 909974\n",
      "3678 JQ1 908158\n",
      "3679 GSK269962A 1298218\n",
      "3680 I-BET-762 749710\n",
      "3681 JQ1 909718\n",
      "3682 BMS-536924 946355\n",
      "3683 SB216763 753610\n",
      "3684 Camptothecin 1299052\n",
      "3685 Camptothecin 1240219\n",
      "3686 PF-4708671 753555\n",
      "3687 BMS-536924 688021\n",
      "3688 PLX-4720 724870\n",
      "3689 Olaparib 1240172\n",
      "3690 OSI-027 1290798\n",
      "3691 NU7441 910706\n",
      "3692 VX-11e 753551\n",
      "3693 Doramapimod 907072\n",
      "3694 Nilotinib 1240124\n",
      "3695 BMS-536924 753600\n",
      "3696 Trametinib 1299080\n",
      "3697 Pevonedistat 688087\n",
      "3698 Obatoclax Mesylate 908127\n",
      "3699 AZD7762 910549\n",
      "3700 Gemcitabine 1240129\n",
      "3701 JQ1 905946\n",
      "3702 Olaparib 949156\n",
      "3703 KU-55933 908126\n",
      "3704 GSK269962A 1479988\n",
      "3705 AZD7762 688058\n",
      "3706 PF-4708671 1674021\n",
      "3707 Temozolomide 908442\n",
      "3708 AZD8055 1290795\n",
      "3709 Erlotinib 910947\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3710 Obatoclax Mesylate 949094\n",
      "3711 BMS-345541 949094\n",
      "3712 NU7441 909702\n",
      "3713 Afatinib 910852\n",
      "3714 GSK269962A 949158\n",
      "3715 Gefitinib 909728\n",
      "3716 5-Fluorouracil 724873\n",
      "3717 NU7441 687505\n",
      "3718 Nilotinib 684057\n",
      "3719 Vinblastine 1290906\n",
      "3720 Navitoclax 910780\n",
      "3721 BMS-536924 1298352\n",
      "3722 JQ1 1298222\n",
      "3723 GSK269962A 906833\n",
      "3724 AZD7762 749717\n",
      "3725 Dabrafenib 753575\n",
      "3726 Sepantronium bromide 907280\n",
      "3727 5-Fluorouracil 1240216\n",
      "3728 PF-4708671 946358\n",
      "3729 Talazoparib 908476\n",
      "3730 Axitinib 908134\n",
      "3731 Daporinad 906868\n",
      "3732 GSK269962A 905976\n",
      "3733 Trametinib 906846\n",
      "3734 AZD6482 1240147\n",
      "3735 Tozasertib 906800\n",
      "3736 Cytarabine 908146\n",
      "3737 ZM447439 1240153\n",
      "3738 Axitinib 687819\n",
      "3739 Pictilisib 907270\n",
      "3740 Doramapimod 1247871\n",
      "3741 Linsitinib 753547\n",
      "3742 JQ1 907792\n",
      "3743 Afatinib 908149\n",
      "3744 Ruxolitinib 906828\n",
      "3745 Pevonedistat 946358\n",
      "3746 Olaparib 753610\n",
      "3747 Afatinib 749714\n",
      "3748 AZD8055 753562\n",
      "3749 Sepantronium bromide 1298475\n",
      "3750 Gefitinib 1297449\n",
      "3751 Tamoxifen 949172\n",
      "3752 Afatinib 908121\n",
      "3753 Crizotinib 908142\n",
      "3754 PLX-4720 684062\n",
      "3755 Obatoclax Mesylate 909976\n",
      "3756 KU-55933 909757\n",
      "3757 GSK1904529A 909709\n",
      "3758 AZD6482 907795\n",
      "3759 Tamoxifen 924238\n",
      "3760 Entinostat 908473\n",
      "3761 GSK269962A 909252\n",
      "3762 KU-55933 909697\n",
      "3763 Olaparib 1298222\n",
      "3764 AZD7762 907066\n",
      "3765 XAV939 905989\n",
      "3766 Pictilisib 1524416\n",
      "3767 Entinostat 909974\n",
      "3768 Navitoclax 910919\n",
      "3769 Navitoclax 909719\n",
      "3770 Doramapimod 905976\n",
      "3771 XAV939 925340\n",
      "3772 WIKI4 908445\n",
      "3773 AZD7762 749709\n",
      "3774 AZD8055 998189\n",
      "3775 Gefitinib 1660034\n",
      "3776 PLX-4720 1295740\n",
      "3777 PF-4708671 910700\n",
      "3778 Ruxolitinib 910900\n",
      "3779 Tamoxifen 1290922\n",
      "3780 5-Fluorouracil 687983\n",
      "3781 WIKI4 1299081\n",
      "3782 BMS-536924 911905\n",
      "3783 Docetaxel 908454\n",
      "3784 Palbociclib 909720\n",
      "3785 WIKI4 1240196\n",
      "3786 Palbociclib 909785\n",
      "3787 Navitoclax 908129\n",
      "3788 Daporinad 946361\n",
      "3789 AZD8055 924240\n",
      "3790 XAV939 1290730\n",
      "3791 Entinostat 910700\n",
      "3792 Palbociclib 909759\n",
      "3793 Palbociclib 905958\n",
      "3794 BMS-536924 1240199\n",
      "3795 Linsitinib 909737\n",
      "3796 I-BET-762 909725\n",
      "3797 PD0325901 924244\n",
      "3798 Docetaxel 905965\n",
      "3799 PD0325901 907323\n",
      "3800 BMS-345541 753600\n",
      "3801 PF-4708671 749715\n",
      "3802 Cytarabine 910924\n",
      "3803 WIKI4 909256\n",
      "3804 Afatinib 906821\n",
      "3805 Dactolisib 906872\n",
      "3806 Olaparib 753562\n",
      "3807 RO-3306 946356\n",
      "3808 ZM447439 1298218\n",
      "3809 BMS-345541 909256\n",
      "3810 Palbociclib 1298475\n",
      "3811 Luminespib 908138\n",
      "3812 OSI-027 1327771\n",
      "3813 GSK269962A 910934\n",
      "3814 JQ1 998189\n",
      "3815 AZD6482 909977\n",
      "3816 NU7441 688014\n",
      "3817 AZD6482 1330987\n",
      "3818 Olaparib 1298534\n",
      "3819 Doramapimod 949158\n",
      "3820 PD173074 687586\n",
      "3821 Daporinad 910079\n",
      "3822 Vinblastine 905948\n",
      "3823 AZD6482 907058\n",
      "3824 Camptothecin 753558\n",
      "3825 Olaparib 909907\n",
      "3826 VX-11e 1503362\n",
      "3827 PF-4708671 1298226\n",
      "3828 Dasatinib 906844\n",
      "3829 NU7441 905956\n",
      "3830 5-Fluorouracil 753616\n",
      "3831 GSK269962A 907056\n",
      "3832 Olaparib 910569\n",
      "3833 Vorinostat 1298531\n",
      "3834 Linsitinib 909904\n",
      "3835 Lapatinib 907271\n",
      "3836 Gemcitabine 924102\n",
      "3837 GSK1904529A 1290809\n",
      "3838 OSI-027 1297447\n",
      "3839 Linsitinib 907299\n",
      "3840 Dabrafenib 1240208\n",
      "3841 PLX-4720 687995\n",
      "3842 NU7441 753594\n",
      "3843 JQ1 910401\n",
      "3844 GSK269962A 1660036\n",
      "3845 PLX-4720 946361\n",
      "3846 Talazoparib 687995\n",
      "3847 Gefitinib 1330931\n",
      "3848 Talazoparib 908458\n",
      "3849 Dactolisib 1331036\n",
      "3850 Paclitaxel 749716\n",
      "3851 BI-2536 1330950\n",
      "3852 Lapatinib 1331048\n",
      "3853 PLX-4720 906794\n",
      "3854 Luminespib 687586\n",
      "3855 Gefitinib 724863\n",
      "3856 Pevonedistat 1240122\n",
      "3857 Lapatinib 906847\n",
      "3858 GSK269962A 687590\n",
      "3859 JQ1 909723\n",
      "3860 Camptothecin 688023\n",
      "3861 Obatoclax Mesylate 1298223\n",
      "3862 BMS-345541 1480372\n",
      "3863 VX-11e 906855\n",
      "3864 GSK1904529A 910554\n",
      "3865 PLX-4720 753592\n",
      "3866 Trametinib 1240147\n",
      "3867 Navitoclax 906863\n",
      "3868 Trametinib 1330941\n",
      "3869 VX-11e 1295741\n",
      "3870 Gemcitabine 909753\n",
      "3871 Dactolisib 687457\n",
      "3872 GSK269962A 1330931\n",
      "3873 PD173074 1330973\n",
      "3874 MK-2206 946368\n",
      "3875 Sepantronium bromide 906821\n",
      "3876 Obatoclax Mesylate 749716\n",
      "3877 Axitinib 1240141\n",
      "3878 Nutlin-3a (-) 1330973\n",
      "3879 Vorinostat 1290795\n",
      "3880 PD0325901 1298216\n",
      "3881 JQ1 909699\n",
      "3882 AZD8055 1290724\n",
      "3883 Linsitinib 1298348\n",
      "3884 AZD8055 908457\n",
      "3885 AZD7762 910920\n",
      "3886 Cytarabine 925341\n",
      "3887 WIKI4 1240149\n",
      "3888 Pevonedistat 906795\n",
      "3889 AZD6482 905958\n",
      "3890 SB216763 688001\n",
      "3891 Temozolomide 905979\n",
      "3892 BMS-536924 910554\n",
      "3893 BMS-536924 908459\n",
      "3894 ZM447439 713880\n",
      "3895 Axitinib 906836\n",
      "3896 Vorinostat 724834\n",
      "3897 Daporinad 1331050\n",
      "3898 Bortezomib 906861\n",
      "3899 Ruxolitinib 908465\n",
      "3900 Olaparib 924240\n",
      "3901 Tamoxifen 907269\n",
      "3902 Afatinib 906818\n",
      "3903 Dactolisib 906844\n",
      "3904 Bortezomib 946370\n",
      "3905 AZD8055 1240143\n",
      "3906 YK-4-279 905970\n",
      "3907 Luminespib 910779\n",
      "3908 Sepantronium bromide 735784\n",
      "3909 GSK1904529A 909701\n",
      "3910 AZD6482 687995\n",
      "3911 Olaparib 1298526\n",
      "3912 5-Fluorouracil 906837\n",
      "3913 Dabrafenib 924111\n",
      "3914 ZM447439 1331037\n",
      "3915 I-BET-762 949166\n",
      "3916 MK-2206 910934\n",
      "3917 OSI-027 906838\n",
      "3918 OSI-027 905984\n",
      "3919 Pictilisib 907318\n",
      "3920 I-BET-762 907795\n",
      "3921 JQ1 910904\n",
      "3922 Vorinostat 1503371\n",
      "3923 Luminespib 905950\n",
      "3924 BMS-345541 684062\n",
      "3925 Dabrafenib 753621\n",
      "3926 PD0325901 905934\n",
      "3927 Axitinib 907050\n",
      "3928 Trametinib 753576\n",
      "3929 OSI-027 1240192\n",
      "3930 MK-2206 753551\n",
      "3931 Daporinad 907053\n",
      "3932 Bortezomib 907313\n",
      "3933 Bortezomib 949178\n",
      "3934 Axitinib 907276\n",
      "3935 GSK269962A 905980\n",
      "3936 PD173074 724855\n",
      "3937 PF-4708671 907053\n",
      "3938 BMS-345541 930297\n",
      "3939 WIKI4 930082\n",
      "3940 Navitoclax 1327775\n",
      "3941 MK-2206 1331049\n",
      "3942 Olaparib 908132\n",
      "3943 AZD7762 1330933\n",
      "3944 GSK269962A 687600\n",
      "3945 Daporinad 909264\n",
      "3946 Entinostat 749715\n",
      "3947 PD0325901 906828\n",
      "3948 Camptothecin 1290810\n",
      "3949 PLX-4720 908126\n",
      "3950 Temozolomide 722046\n",
      "3951 AZD7762 910688\n",
      "3952 Axitinib 909744\n",
      "3953 XAV939 906999\n",
      "3954 Gefitinib 753569\n",
      "3955 Pictilisib 906801\n",
      "3956 Vorinostat 949094\n",
      "3957 5-Fluorouracil 909976\n",
      "3958 Ruxolitinib 724855\n",
      "3959 5-Fluorouracil 907061\n",
      "3960 PF-4708671 909698\n",
      "3961 Sepantronium bromide 909696\n",
      "3962 JQ1 1290771\n",
      "3963 Gefitinib 1298349\n",
      "3964 PD0325901 905945\n",
      "3965 Talazoparib 908156\n",
      "3966 AZD8055 753607\n",
      "3967 GSK269962A 910688\n",
      "3968 PD0325901 910903\n",
      "3969 PF-4708671 1240141\n",
      "3970 RO-3306 949094\n",
      "3971 Navitoclax 910921\n",
      "3972 YK-4-279 949177\n",
      "3973 5-Fluorouracil 907289\n",
      "3974 GSK1904529A 687997\n",
      "3975 JQ1 930298\n",
      "3976 Daporinad 908151\n",
      "3977 Gemcitabine 907069\n",
      "3978 BMS-536924 1247873\n",
      "3979 Trametinib 753532\n",
      "3980 BMS-536924 1240181\n",
      "3981 RO-3306 910692\n",
      "3982 Talazoparib 946382\n",
      "3983 Vorinostat 905986\n",
      "3984 Obatoclax Mesylate 949164\n",
      "3985 Ruxolitinib 1299050\n",
      "3986 Luminespib 687985\n",
      "3987 OSI-027 1240184\n",
      "3988 Luminespib 949158\n",
      "3989 Doramapimod 1240221\n",
      "3990 AZD6482 1240170\n",
      "3991 Nilotinib 971773\n",
      "3992 MK-2206 753532\n",
      "3993 Olaparib 1479988\n",
      "3994 XAV939 687452\n",
      "3995 Temozolomide 1322218\n",
      "3996 Bortezomib 907278\n",
      "3997 Cytarabine 1298134\n",
      "3998 RO-3306 906765\n",
      "3999 WIKI4 1240210\n",
      "4000 PD173074 1240149\n",
      "4001 BMS-536924 1298352\n",
      "4002 GSK269962A 909704\n",
      "4003 AZD8055 907289\n",
      "4004 Olaparib 687600\n",
      "4005 Navitoclax 909743\n",
      "4006 VX-11e 1240189\n",
      "4007 Sepantronium bromide 1240210\n",
      "4008 Axitinib 906794\n",
      "4009 BMS-754807 908122\n",
      "4010 5-Fluorouracil 687815\n",
      "4011 Pevonedistat 907321\n",
      "4012 JQ1 1240223\n",
      "4013 Navitoclax 906853\n",
      "4014 Nutlin-3a (-) 908474\n",
      "4015 Camptothecin 946370\n",
      "4016 Olaparib 908473\n",
      "4017 Talazoparib 930298\n",
      "4018 Camptothecin 713878\n",
      "4019 AZD6482 905977\n",
      "4020 GSK269962A 908152\n",
      "4021 Dabrafenib 688014\n",
      "4022 Sepantronium bromide 907061\n",
      "4023 OSI-027 905975\n",
      "4024 PD0325901 910554\n",
      "4025 KU-55933 909252\n",
      "4026 Linsitinib 1240223\n",
      "4027 Sepantronium bromide 906861\n",
      "4028 Palbociclib 908142\n",
      "4029 Pictilisib 1240217\n",
      "4030 Nutlin-3a (-) 905972\n",
      "4031 BMS-536924 1297446\n",
      "4032 ZM447439 907073\n",
      "4033 Tamoxifen 1503363\n",
      "4034 Docetaxel 907289\n",
      "4035 AZD7762 907320\n",
      "4036 BMS-754807 687506\n",
      "4037 JQ1 687983\n",
      "4038 Docetaxel 907046\n",
      "4039 Gefitinib 925346\n",
      "4040 Afatinib 1322218\n",
      "4041 Tozasertib 949178\n",
      "4042 PD173074 1331037\n",
      "4043 Gefitinib 907314\n",
      "4044 AZD6482 909761\n",
      "4045 Gemcitabine 1247871\n",
      "4046 Daporinad 713880\n",
      "4047 GSK269962A 908131\n",
      "4048 Sorafenib 907792\n",
      "4049 Olaparib 905983\n",
      "4050 Temozolomide 1298134\n",
      "4051 ZM447439 909974\n",
      "4052 AZD6482 1298538\n",
      "4053 JQ1 907298\n",
      "4054 Axitinib 753576\n",
      "4055 Daporinad 907291\n",
      "4056 Obatoclax Mesylate 1240159\n",
      "4057 Luminespib 906795\n",
      "4058 Obatoclax Mesylate 1240127\n",
      "4059 BMS-345541 1240218\n",
      "4060 GSK1904529A 1330941\n",
      "4061 YK-4-279 1503370\n",
      "4062 Afatinib 1295741\n",
      "4063 BI-2536 687997\n",
      "4064 Pictilisib 1330950\n",
      "4065 Paclitaxel 749711\n",
      "4066 Camptothecin 1303896\n",
      "4067 AZD7762 905950\n",
      "4068 PLX-4720 949164\n",
      "4069 OSI-027 688013\n",
      "4070 MK-2206 687787\n",
      "4071 Axitinib 910705\n",
      "4072 Palbociclib 949166\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4073 RO-3306 1240145\n",
      "4074 RO-3306 905974\n",
      "4075 Sepantronium bromide 906851\n",
      "4076 Camptothecin 908467\n",
      "4077 5-Fluorouracil 908127\n",
      "4078 Paclitaxel 688025\n",
      "4079 RO-3306 1290771\n",
      "4080 Docetaxel 1298216\n",
      "4081 Sepantronium bromide 907795\n",
      "4082 VX-11e 905971\n",
      "4083 Pictilisib 908483\n",
      "4084 RO-3306 905957\n",
      "4085 Ruxolitinib 910911\n",
      "4086 Vorinostat 906875\n",
      "4087 Docetaxel 907298\n",
      "4088 GSK269962A 910703\n",
      "4089 NU7441 910687\n",
      "4090 Luminespib 906873\n",
      "4091 Afatinib 753565\n",
      "4092 Daporinad 1298222\n",
      "4093 Linsitinib 909709\n",
      "4094 GSK1904529A 910944\n",
      "4095 AZD6482 724868\n",
      "4096 ZM447439 1330947\n",
      "4097 Dabrafenib 687820\n",
      "4098 Sorafenib 910942\n",
      "4099 Ruxolitinib 753575\n",
      "4100 Luminespib 1330933\n",
      "4101 Axitinib 906861\n",
      "4102 I-BET-762 1503361\n",
      "4103 Luminespib 907064\n",
      "4104 BMS-754807 910905\n",
      "4105 ZM447439 1298219\n",
      "4106 AZD7762 907286\n",
      "4107 PD173074 906821\n",
      "4108 Gefitinib 749714\n",
      "4109 Ruxolitinib 1240181\n",
      "4110 JQ1 924108\n",
      "4111 Navitoclax 1290798\n",
      "4112 Trametinib 753584\n",
      "4113 YK-4-279 1524416\n",
      "4114 Pictilisib 1789883\n",
      "4115 Dabrafenib 905968\n",
      "4116 5-Fluorouracil 1659928\n",
      "4117 JQ1 905935\n",
      "4118 Docetaxel 906839\n",
      "4119 Vorinostat 949160\n",
      "4120 PD0325901 910932\n",
      "4121 JQ1 906828\n",
      "4122 5-Fluorouracil 910922\n",
      "4123 Obatoclax Mesylate 1240154\n",
      "4124 RO-3306 1298347\n",
      "4125 OSI-027 910780\n",
      "4126 5-Fluorouracil 1298538\n",
      "4127 BMS-754807 907796\n",
      "4128 BMS-345541 688087\n",
      "4129 BI-2536 909731\n",
      "4130 PLX-4720 906875\n",
      "4131 Docetaxel 724873\n",
      "4132 ZM447439 1297439\n",
      "4133 Gemcitabine 906797\n",
      "4134 PD173074 1298216\n",
      "4135 Luminespib 906856\n",
      "4136 Pictilisib 908451\n",
      "4137 GSK1904529A 688010\n",
      "4138 BMS-536924 1290906\n",
      "4139 RO-3306 910079\n",
      "4140 Trametinib 908149\n",
      "4141 Pictilisib 906804\n",
      "4142 Nutlin-3a (-) 905945\n",
      "4143 Tamoxifen 924186\n",
      "4144 BMS-345541 907298\n",
      "4145 BMS-754807 687588\n",
      "4146 VX-11e 906873\n",
      "4147 BMS-345541 1479988\n",
      "4148 5-Fluorouracil 724834\n",
      "4149 Afatinib 908458\n",
      "4150 Dactolisib 1240160\n",
      "4151 Linsitinib 688025\n",
      "4152 Nutlin-3a (-) 909729\n",
      "4153 Dactolisib 905941\n",
      "4154 Bortezomib 949163\n",
      "4155 Vorinostat 905962\n",
      "4156 Pictilisib 1240187\n",
      "4157 JQ1 1240160\n",
      "4158 Ruxolitinib 925341\n",
      "4159 PLX-4720 924110\n",
      "4160 MK-2206 924102\n",
      "4161 XAV939 906838\n",
      "4162 MK-2206 1290908\n",
      "4163 Docetaxel 907322\n",
      "4164 Nilotinib 908474\n",
      "4165 NU7441 910937\n",
      "4166 Afatinib 1299081\n",
      "4167 WIKI4 909725\n",
      "4168 Obatoclax Mesylate 906844\n",
      "4169 GSK1904529A 910849\n",
      "4170 PLX-4720 905968\n",
      "4171 AZD8055 1290797\n",
      "4172 5-Fluorouracil 724878\n",
      "4173 GSK269962A 930082\n",
      "4174 PLX-4720 907321\n",
      "4175 AZD8055 909744\n",
      "4176 Pevonedistat 949166\n",
      "4177 I-BET-762 909755\n",
      "4178 Rapamycin 688023\n",
      "4179 KU-55933 910569\n",
      "4180 Axitinib 924107\n",
      "4181 Sepantronium bromide 906846\n",
      "4182 AZD6482 907295\n",
      "4183 Tamoxifen 1330933\n",
      "4184 Doramapimod 908136\n",
      "4185 Axitinib 908128\n",
      "4186 PD173074 907299\n",
      "4187 AZD7762 1303897\n",
      "4188 Nilotinib 1331039\n",
      "4189 Dactolisib 910703\n",
      "4190 SB216763 1298352\n",
      "4191 MK-2206 906848\n",
      "4192 OSI-027 924187\n",
      "4193 Nutlin-3a (-) 1330985\n",
      "4194 Vinblastine 1290813\n",
      "4195 XAV939 724873\n",
      "4196 Talazoparib 908465\n",
      "4197 MK-2206 753575\n",
      "4198 Olaparib 1299070\n",
      "4199 Talazoparib 949171\n",
      "4200 I-BET-762 683667\n",
      "4201 BMS-536924 909709\n",
      "4202 Luminespib 924240\n",
      "4203 XAV939 908150\n",
      "4204 NU7441 907279\n",
      "4205 Ruxolitinib 688014\n",
      "4206 MK-2206 687457\n",
      "4207 Linsitinib 909776\n",
      "4208 Nilotinib 906864\n",
      "4209 PLX-4720 909260\n",
      "4210 Erlotinib 946355\n",
      "4211 ZM447439 907285\n",
      "4212 PD0325901 688027\n",
      "4213 Doramapimod 1479988\n",
      "4214 GSK269962A 1330995\n",
      "4215 Nilotinib 908444\n",
      "4216 BMS-536924 1240134\n",
      "4217 AZD6482 1290810\n",
      "4218 Entinostat 1331032\n",
      "4219 5-Fluorouracil 909759\n",
      "4220 Palbociclib 906794\n",
      "4221 PF-4708671 1298146\n",
      "4222 BMS-536924 1240143\n",
      "4223 Luminespib 1298134\n",
      "4224 SB216763 910780\n",
      "4225 Temozolomide 749712\n",
      "4226 AZD6482 907322\n",
      "4227 Navitoclax 910943\n",
      "4228 BI-2536 909701\n",
      "4229 Tamoxifen 907047\n",
      "4230 GSK269962A 946360\n",
      "4231 PD173074 908159\n",
      "4232 Linsitinib 1240122\n",
      "4233 Camptothecin 687780\n",
      "4234 NU7441 1240219\n",
      "4235 PD173074 907789\n",
      "4236 Crizotinib 753614\n",
      "4237 Temozolomide 924102\n",
      "4238 Sepantronium bromide 907300\n",
      "4239 Temozolomide 908138\n",
      "4240 Olaparib 1240226\n",
      "4241 AZD6482 684062\n",
      "4242 Afatinib 907298\n",
      "4243 ZM447439 1330941\n",
      "4244 Axitinib 907270\n",
      "4245 SB216763 906853\n",
      "4246 MK-2206 905938\n",
      "4247 Dabrafenib 905939\n",
      "4248 Vorinostat 1240168\n",
      "4249 Talazoparib 908145\n",
      "4250 JQ1 753561\n",
      "4251 XAV939 753554\n",
      "4252 WIKI4 946382\n",
      "4253 GSK269962A 949163\n",
      "4254 BI-2536 749716\n",
      "4255 Tozasertib 910546\n",
      "4256 Olaparib 910710\n",
      "4257 Axitinib 1298219\n",
      "4258 AZD6482 1240217\n",
      "4259 Vorinostat 753576\n",
      "4260 ZM447439 687600\n",
      "4261 5-Fluorouracil 1298475\n",
      "4262 WIKI4 908139\n",
      "4263 RO-3306 1240183\n",
      "4264 YK-4-279 998184\n",
      "4265 PF-4708671 688021\n",
      "4266 NU7441 753592\n",
      "4267 Tamoxifen 949153\n",
      "4268 JQ1 909718\n",
      "4269 PD0325901 906817\n",
      "4270 PLX-4720 908470\n",
      "4271 Daporinad 905945\n",
      "4272 Vinblastine 1240181\n",
      "4273 Axitinib 1290809\n",
      "4274 Vinblastine 908156\n",
      "4275 Vinblastine 1240142\n",
      "4276 Temozolomide 909735\n",
      "4277 Olaparib 1331036\n",
      "4278 RO-3306 905939\n",
      "4279 BMS-754807 909740\n",
      "4280 Tozasertib 753618\n",
      "4281 Rapamycin 1327766\n",
      "4282 Temozolomide 906826\n",
      "4283 GSK269962A 753565\n",
      "4284 Ruxolitinib 683667\n",
      "4285 Afatinib 905933\n",
      "4286 Camptothecin 687787\n",
      "4287 Camptothecin 687568\n",
      "4288 Doramapimod 724855\n",
      "4289 WIKI4 753610\n",
      "4290 PLX-4720 906831\n",
      "4291 AZD7762 688018\n",
      "4292 BMS-345541 906836\n",
      "4293 AZD6482 924104\n",
      "4294 Sepantronium bromide 1240146\n",
      "4295 Luminespib 753610\n",
      "4296 RO-3306 753583\n",
      "4297 KU-55933 909256\n",
      "4298 Palbociclib 949178\n",
      "4299 BMS-754807 908129\n",
      "4300 Daporinad 905947\n",
      "4301 MK-2206 1240122\n",
      "4302 VX-11e 925343\n",
      "4303 BMS-536924 909732\n",
      "4304 AZD6482 908455\n",
      "4305 SB216763 909759\n",
      "4306 5-Fluorouracil 907042\n",
      "4307 Gemcitabine 909723\n",
      "4308 I-BET-762 907172\n",
      "4309 RO-3306 1299052\n",
      "4310 OSI-027 753624\n",
      "4311 Gefitinib 907321\n",
      "4312 XAV939 1298141\n",
      "4313 Luminespib 924108\n",
      "4314 Pictilisib 1503368\n",
      "4315 OSI-027 909708\n",
      "4316 Pictilisib 908158\n",
      "4317 Doramapimod 1660034\n",
      "4318 PD173074 753616\n",
      "4319 Gefitinib 1327766\n",
      "4320 PLX-4720 687802\n",
      "4321 Dasatinib 687448\n",
      "4322 XAV939 930299\n",
      "4323 Pevonedistat 687777\n",
      "4324 Afatinib 909704\n",
      "4325 Camptothecin 1240149\n",
      "4326 SB216763 909743\n",
      "4327 NU7441 907317\n",
      "4328 NU7441 946359\n",
      "4329 Pevonedistat 687780\n",
      "4330 Dabrafenib 911905\n",
      "4331 ZM447439 683667\n",
      "4332 Vinblastine 1240218\n",
      "4333 Nilotinib 949157\n",
      "4334 WIKI4 1303912\n",
      "4335 Obatoclax Mesylate 1290906\n",
      "4336 Linsitinib 910851\n",
      "4337 AZD6482 907289\n",
      "4338 Gefitinib 907281\n",
      "4339 ZM447439 908442\n",
      "4340 ZM447439 949161\n",
      "4341 Nutlin-3a (-) 753608\n",
      "4342 Cytarabine 1240124\n",
      "4343 WIKI4 724828\n",
      "4344 Afatinib 910695\n",
      "4345 GSK1904529A 753555\n",
      "4346 Palbociclib 1327771\n",
      "4347 GSK269962A 1240143\n",
      "4348 BMS-754807 909776\n",
      "4349 Temozolomide 687457\n",
      "4350 AZD8055 753612\n",
      "4351 AZD8055 949174\n",
      "4352 JQ1 906792\n",
      "4353 Olaparib 687590\n",
      "4354 Olaparib 907056\n",
      "4355 AZD6482 753608\n",
      "4356 Olaparib 1659823\n",
      "4357 Afatinib 906837\n",
      "4358 BMS-536924 906828\n",
      "4359 PLX-4720 687455\n",
      "4360 Vinblastine 910546\n",
      "4361 Ruxolitinib 753551\n",
      "4362 JQ1 1290795\n",
      "4363 MK-2206 910921\n",
      "4364 JQ1 1331050\n",
      "4365 Afatinib 907313\n",
      "4366 RO-3306 724828\n",
      "4367 Navitoclax 909753\n",
      "4368 Navitoclax 1240173\n",
      "4369 GSK1904529A 687802\n",
      "4370 Temozolomide 687995\n",
      "4371 GSK269962A 910705\n",
      "4372 AZD6482 905955\n",
      "4373 I-BET-762 907073\n",
      "4374 GSK1904529A 1298136\n",
      "4375 Obatoclax Mesylate 906746\n",
      "4376 Rapamycin 908136\n",
      "4377 Trametinib 1240129\n",
      "4378 Gefitinib 908152\n",
      "4379 Luminespib 949160\n",
      "4380 Luminespib 906808\n",
      "4381 Entinostat 688023\n",
      "4382 Doramapimod 1240181\n",
      "4383 AZD6482 1503361\n",
      "4384 NU7441 906863\n",
      "4385 5-Fluorouracil 909781\n",
      "4386 Talazoparib 753600\n",
      "4387 Olaparib 906832\n",
      "4388 Cytarabine 909717\n",
      "4389 Dactolisib 906856\n",
      "4390 Olaparib 908461\n",
      "4391 Ruxolitinib 924240\n",
      "4392 Vorinostat 910932\n",
      "4393 GSK1904529A 909255\n",
      "4394 Entinostat 906836\n",
      "4395 PD173074 907783\n",
      "4396 BMS-345541 909264\n",
      "4397 Talazoparib 910934\n",
      "4398 Luminespib 905933\n",
      "4399 Trametinib 909776\n",
      "4400 Obatoclax Mesylate 687562\n",
      "4401 GSK1904529A 910691\n",
      "4402 PD0325901 1240193\n",
      "4403 Luminespib 907268\n",
      "4404 Luminespib 905977\n",
      "4405 Ruxolitinib 906696\n",
      "4406 Gefitinib 1298348\n",
      "4407 XAV939 906820\n",
      "4408 NU7441 1240128\n",
      "4409 Pictilisib 687561\n",
      "4410 AZD6482 909263\n",
      "4411 Axitinib 1503370\n",
      "4412 Nilotinib 909707\n",
      "4413 BMS-345541 688121\n",
      "4414 BMS-754807 949163\n",
      "4415 Palbociclib 910554\n",
      "4416 YK-4-279 910689\n",
      "4417 BMS-536924 1290807\n",
      "4418 Vorinostat 910548\n",
      "4419 BMS-754807 1299075\n",
      "4420 JQ1 906847\n",
      "4421 Camptothecin 753538\n",
      "4422 Talazoparib 1674021\n",
      "4423 GSK1904529A 1298169\n",
      "4424 Obatoclax Mesylate 910922\n",
      "4425 JQ1 949168\n",
      "4426 Docetaxel 924110\n",
      "4427 GSK1904529A 909250\n",
      "4428 PD0325901 1240123\n",
      "4429 Afatinib 722046\n",
      "4430 PLX-4720 1298169\n",
      "4431 Entinostat 909696\n",
      "4432 I-BET-762 1322224\n",
      "4433 Afatinib 753538\n",
      "4434 Pevonedistat 946370\n",
      "4435 Temozolomide 946357\n",
      "4436 Ruxolitinib 906838\n",
      "4437 Sepantronium bromide 907787\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4438 AZD6482 1330942\n",
      "4439 Cytarabine 907000\n",
      "4440 Gemcitabine 909699\n",
      "4441 Vorinostat 753583\n",
      "4442 PD0325901 906871\n",
      "4443 Dactolisib 749714\n",
      "4444 Navitoclax 908446\n",
      "4445 Afatinib 1299081\n",
      "4446 BMS-345541 905959\n",
      "4447 Docetaxel 907275\n",
      "4448 XAV939 905938\n",
      "4449 VX-11e 949094\n",
      "4450 Axitinib 1298538\n",
      "4451 MK-2206 1297439\n",
      "4452 GSK269962A 906856\n",
      "4453 Obatoclax Mesylate 905961\n",
      "4454 AZD6482 906861\n",
      "4455 Gefitinib 1240226\n",
      "4456 Talazoparib 906818\n",
      "4457 Pictilisib 909263\n",
      "4458 Cytarabine 1240168\n",
      "4459 Docetaxel 910079\n",
      "4460 MK-2206 949172\n",
      "4461 BMS-754807 905973\n",
      "4462 KU-55933 687568\n",
      "4463 I-BET-762 909713\n",
      "4464 BMS-536924 753594\n",
      "4465 XAV939 1322212\n",
      "4466 Gemcitabine 1240121\n",
      "4467 AZD6482 1298347\n",
      "4468 Entinostat 908146\n",
      "4469 PLX-4720 1303900\n",
      "4470 AZD8055 905961\n",
      "4471 AZD7762 909251\n",
      "4472 Temozolomide 1240208\n",
      "4473 OSI-027 906790\n",
      "4474 BMS-345541 687821\n",
      "4475 ZM447439 908149\n",
      "4476 BMS-754807 909785\n",
      "4477 NU7441 908159\n",
      "4478 Cytarabine 753615\n",
      "4479 Trametinib 908151\n",
      "4480 OSI-027 1240190\n",
      "4481 Axitinib 905939\n",
      "4482 Pevonedistat 688011\n",
      "4483 Paclitaxel 753618\n",
      "4484 Pictilisib 907043\n",
      "4485 Olaparib 1330950\n",
      "4486 VX-11e 1298146\n",
      "4487 Tamoxifen 1240192\n",
      "4488 Vorinostat 905942\n",
      "4489 PLX-4720 907276\n",
      "4490 Afatinib 687568\n",
      "4491 Luminespib 1330931\n",
      "4492 I-BET-762 905976\n",
      "4493 Olaparib 1299064\n",
      "4494 VX-11e 907286\n",
      "4495 Talazoparib 1503367\n",
      "4496 MK-2206 1660035\n",
      "4497 Gefitinib 906696\n",
      "4498 AZD6482 722046\n",
      "4499 Afatinib 908451\n",
      "4500 Dabrafenib 906805\n",
      "4501 Tamoxifen 687568\n",
      "4502 5-Fluorouracil 949178\n",
      "4503 AZD6482 1509073\n",
      "4504 NU7441 905952\n",
      "4505 Navitoclax 925338\n",
      "4506 VX-11e 908141\n",
      "4507 Navitoclax 753551\n",
      "4508 NU7441 1298223\n",
      "4509 Paclitaxel 917486\n",
      "4510 Afatinib 1299052\n",
      "4511 OSI-027 906798\n",
      "4512 PD0325901 753532\n",
      "4513 VX-11e 905938\n",
      "4514 Trametinib 907796\n",
      "4515 Dactolisib 909248\n",
      "4516 Daporinad 1330941\n",
      "4517 BMS-345541 906818\n",
      "4518 SB216763 906821\n",
      "4519 Obatoclax Mesylate 909749\n",
      "4520 KU-55933 1240167\n",
      "4521 BMS-754807 1330941\n",
      "4522 Navitoclax 924108\n",
      "4523 5-Fluorouracil 1290810\n",
      "4524 ZM447439 909751\n",
      "4525 VX-11e 1660036\n",
      "4526 Vinblastine 949178\n",
      "4527 XAV939 949172\n",
      "4528 Obatoclax Mesylate 1298226\n",
      "4529 Talazoparib 1331040\n",
      "4530 BMS-754807 910903\n",
      "4531 Axitinib 909257\n",
      "4532 ZM447439 1240215\n",
      "4533 Vinblastine 906797\n",
      "4534 VX-11e 946359\n",
      "4535 PLX-4720 1240134\n",
      "4536 RO-3306 905991\n",
      "4537 Tamoxifen 909248\n",
      "4538 PLX-4720 910935\n",
      "4539 BMS-754807 907170\n",
      "4540 ZM447439 1240187\n",
      "4541 Axitinib 909252\n",
      "4542 YK-4-279 1240217\n",
      "4543 Crizotinib 1240166\n",
      "4544 SB216763 684057\n",
      "4545 Navitoclax 684057\n",
      "4546 Talazoparib 906812\n",
      "4547 Cytarabine 909974\n",
      "4548 Luminespib 1298151\n",
      "4549 BMS-754807 753614\n",
      "4550 Vinblastine 910692\n",
      "4551 RO-3306 906817\n",
      "4552 Docetaxel 906812\n",
      "4553 YK-4-279 908122\n",
      "4554 Luminespib 909755\n",
      "4555 Dabrafenib 905935\n",
      "4556 BMS-536924 909780\n",
      "4557 Tamoxifen 907066\n",
      "4558 BMS-345541 1298537\n",
      "4559 Pictilisib 909778\n",
      "4560 Olaparib 1290810\n",
      "4561 I-BET-762 906824\n",
      "4562 XAV939 907272\n",
      "4563 Linsitinib 1290808\n",
      "4564 BI-2536 713878\n",
      "4565 Tamoxifen 1240135\n",
      "4566 Dasatinib 1240128\n",
      "4567 PF-4708671 753594\n",
      "4568 VX-11e 905965\n",
      "4569 NU7441 907170\n",
      "4570 XAV939 753552\n",
      "4571 BI-2536 908473\n",
      "4572 Daporinad 908475\n",
      "4573 Afatinib 1240167\n",
      "4574 PLX-4720 910947\n",
      "4575 PLX-4720 910952\n",
      "4576 Olaparib 905970\n",
      "4577 BMS-536924 906877\n",
      "4578 Afatinib 907057\n",
      "4579 Axitinib 907068\n",
      "4580 RO-3306 910691\n",
      "4581 Dactolisib 1298349\n",
      "4582 Pictilisib 687787\n",
      "4583 Olaparib 687807\n",
      "4584 Afatinib 1322224\n",
      "4585 WIKI4 907043\n",
      "4586 BMS-536924 907055\n",
      "4587 Docetaxel 908122\n",
      "4588 Vorinostat 930082\n",
      "4589 Luminespib 1327775\n",
      "4590 Rapamycin 909260\n",
      "4591 Gemcitabine 907318\n",
      "4592 BMS-536924 1331049\n",
      "4593 Dabrafenib 1298475\n",
      "4594 Vinblastine 1299062\n",
      "4595 SB216763 910694\n",
      "4596 Ruxolitinib 906839\n",
      "4597 GSK269962A 753546\n",
      "4598 NU7441 753562\n",
      "4599 5-Fluorouracil 909761\n",
      "4600 PLX-4720 907058\n",
      "4601 Cytarabine 1297449\n",
      "4602 Talazoparib 1298348\n",
      "4603 YK-4-279 688087\n",
      "4604 Dabrafenib 908448\n",
      "4605 PD0325901 909250\n",
      "4606 AZD6482 905967\n",
      "4607 WIKI4 1240147\n",
      "4608 KU-55933 906836\n",
      "4609 Tamoxifen 906800\n",
      "4610 Talazoparib 909696\n",
      "4611 WIKI4 722066\n",
      "4612 OSI-027 907788\n",
      "4613 Axitinib 1330947\n",
      "4614 Camptothecin 924240\n",
      "4615 PF-4708671 908142\n",
      "4616 KU-55933 909722\n",
      "4617 GSK269962A 907060\n",
      "4618 Afatinib 908127\n",
      "4619 Tamoxifen 910710\n",
      "4620 Navitoclax 724839\n",
      "4621 RO-3306 909759\n",
      "4622 Tamoxifen 908461\n",
      "4623 Entinostat 688086\n",
      "4624 BMS-345541 906821\n",
      "4625 Daporinad 906839\n",
      "4626 GSK1904529A 909784\n",
      "4627 Dactolisib 908467\n",
      "4628 BMS-754807 909731\n",
      "4629 Afatinib 688026\n",
      "4630 AZD6482 749712\n",
      "4631 Entinostat 688021\n",
      "4632 BMS-754807 910910\n",
      "4633 Entinostat 688026\n",
      "4634 Navitoclax 1240189\n",
      "4635 Axitinib 910948\n",
      "4636 Gemcitabine 910687\n",
      "4637 Pictilisib 1290906\n",
      "4638 Olaparib 925345\n",
      "4639 Dactolisib 1330935\n",
      "4640 Pevonedistat 1240196\n",
      "4641 GSK269962A 1298136\n",
      "4642 Palbociclib 907064\n",
      "4643 KU-55933 753608\n",
      "4644 JQ1 753612\n",
      "4645 PLX-4720 908444\n",
      "4646 Camptothecin 753573\n",
      "4647 Navitoclax 905952\n",
      "4648 MK-2206 749711\n",
      "4649 NU7441 1240142\n",
      "4650 GSK269962A 1674021\n",
      "4651 JQ1 949166\n",
      "4652 Docetaxel 1298531\n",
      "4653 PF-4708671 908152\n",
      "4654 PD0325901 1299070\n",
      "4655 KU-55933 910546\n",
      "4656 GSK269962A 905935\n",
      "4657 Crizotinib 683665\n",
      "4658 Palbociclib 925346\n",
      "4659 PLX-4720 1297439\n",
      "4660 GSK269962A 753558\n",
      "4661 Obatoclax Mesylate 909778\n",
      "4662 Nilotinib 907276\n",
      "4663 Talazoparib 1298537\n",
      "4664 AZD8055 1240154\n",
      "4665 Camptothecin 905960\n",
      "4666 PD173074 905978\n",
      "4667 JQ1 906795\n",
      "4668 Gemcitabine 1240142\n",
      "4669 Olaparib 688021\n",
      "4670 Ruxolitinib 909738\n",
      "4671 Doramapimod 909773\n",
      "4672 JQ1 1240128\n",
      "4673 Paclitaxel 910695\n",
      "4674 Axitinib 905955\n",
      "4675 JQ1 753585\n",
      "4676 Gemcitabine 1240185\n",
      "4677 Afatinib 905989\n",
      "4678 AZD6482 909770\n",
      "4679 Pevonedistat 906818\n",
      "4680 Doramapimod 949171\n",
      "4681 Talazoparib 906834\n",
      "4682 Sepantronium bromide 906835\n",
      "4683 Navitoclax 910688\n",
      "4684 KU-55933 908445\n",
      "4685 Sorafenib 907314\n",
      "4686 ZM447439 905960\n",
      "4687 Vinblastine 1331049\n",
      "4688 Camptothecin 909262\n",
      "4689 PLX-4720 749717\n",
      "4690 XAV939 910919\n",
      "4691 Navitoclax 906864\n",
      "4692 Cytarabine 908451\n",
      "4693 Rapamycin 749713\n",
      "4694 PD0325901 908443\n",
      "4695 Dactolisib 907290\n",
      "4696 Luminespib 905971\n",
      "4697 PD0325901 1331048\n",
      "4698 BI-2536 753563\n",
      "4699 Afatinib 1240132\n",
      "4700 Vorinostat 946357\n",
      "4701 PD173074 909904\n",
      "4702 Linsitinib 687815\n",
      "4703 AZD6482 909747\n",
      "4704 Dasatinib 908451\n",
      "4705 Afatinib 1240142\n",
      "4706 Cytarabine 905969\n",
      "4707 Dabrafenib 907291\n",
      "4708 Afatinib 908134\n",
      "4709 Docetaxel 906852\n",
      "4710 AZD6482 1298475\n",
      "4711 AZD8055 909769\n",
      "4712 Tamoxifen 1298533\n",
      "4713 PLX-4720 713869\n",
      "4714 OSI-027 908446\n",
      "4715 Doramapimod 949094\n",
      "4716 BMS-754807 1240179\n",
      "4717 KU-55933 1290771\n",
      "4718 Erlotinib 684072\n",
      "4719 Temozolomide 908123\n",
      "4720 5-Fluorouracil 910852\n",
      "4721 Gefitinib 909708\n",
      "4722 Dactolisib 907064\n",
      "4723 Gemcitabine 907169\n",
      "4724 Ruxolitinib 906820\n",
      "4725 Temozolomide 907796\n",
      "4726 Axitinib 930297\n",
      "4727 Sepantronium bromide 906877\n",
      "4728 PF-4708671 1298349\n",
      "4729 Daporinad 910544\n",
      "4730 Pictilisib 930083\n",
      "4731 Olaparib 949153\n",
      "4732 Linsitinib 753592\n",
      "4733 Obatoclax Mesylate 1295741\n",
      "4734 GSK1904529A 907291\n",
      "4735 JQ1 724872\n",
      "4736 MK-2206 1295740\n",
      "4737 RO-3306 924186\n",
      "4738 Daporinad 1240154\n",
      "4739 JQ1 687586\n",
      "4740 Ruxolitinib 910401\n",
      "4741 Trametinib 1240196\n",
      "4742 Luminespib 687561\n",
      "4743 Rapamycin 908142\n",
      "4744 Trametinib 1240159\n",
      "4745 RO-3306 1299050\n",
      "4746 AZD8055 1331038\n",
      "4747 Gefitinib 1240199\n",
      "4748 Dasatinib 905978\n",
      "4749 Olaparib 906794\n",
      "4750 Axitinib 909719\n",
      "4751 Nilotinib 910947\n",
      "4752 VX-11e 908156\n",
      "4753 Camptothecin 946357\n",
      "4754 Sepantronium bromide 1240140\n",
      "4755 BMS-536924 1331050\n",
      "4756 Pictilisib 1331050\n",
      "4757 GSK269962A 905973\n",
      "4758 Entinostat 907323\n",
      "4759 Nilotinib 908143\n",
      "4760 OSI-027 906863\n",
      "4761 Tamoxifen 909713\n",
      "4762 BMS-345541 688058\n",
      "4763 Cytarabine 906830\n",
      "4764 Vorinostat 908457\n",
      "4765 Sepantronium bromide 949164\n",
      "4766 AZD7762 909740\n",
      "4767 I-BET-762 949164\n",
      "4768 Afatinib 907064\n",
      "4769 Ruxolitinib 908148\n",
      "4770 PD0325901 1298168\n",
      "4771 NU7441 909761\n",
      "4772 Nilotinib 908129\n",
      "4773 YK-4-279 906818\n",
      "4774 Pevonedistat 687562\n",
      "4775 Rapamycin 906872\n",
      "4776 Olaparib 1303900\n",
      "4777 PLX-4720 1298347\n",
      "4778 PLX-4720 909744\n",
      "4779 Afatinib 909757\n",
      "4780 Entinostat 905938\n",
      "4781 SB216763 910401\n",
      "4782 GSK1904529A 910905\n",
      "4783 5-Fluorouracil 1503370\n",
      "4784 Dabrafenib 910937\n",
      "4785 PF-4708671 906798\n",
      "4786 KU-55933 949164\n",
      "4787 Olaparib 907280\n",
      "4788 GSK269962A 949177\n",
      "4789 5-Fluorouracil 907321\n",
      "4790 Dabrafenib 1240141\n",
      "4791 Afatinib 1330933\n",
      "4792 MK-2206 1330993\n",
      "4793 YK-4-279 1240144\n",
      "4794 Pictilisib 910937\n",
      "4795 RO-3306 907169\n",
      "4796 GSK1904529A 684072\n",
      "4797 JQ1 749711\n",
      "4798 Afatinib 908483\n",
      "4799 Sorafenib 949153\n",
      "4800 JQ1 688018\n",
      "4801 Sorafenib 688087\n",
      "4802 Temozolomide 908446\n",
      "4803 Olaparib 1660036\n",
      "4804 Camptothecin 1303897\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4805 BMS-345541 1240174\n",
      "4806 XAV939 906795\n",
      "4807 BMS-754807 1298169\n",
      "4808 MK-2206 924105\n",
      "4809 Axitinib 906844\n",
      "4810 YK-4-279 1240121\n",
      "4811 Navitoclax 906868\n",
      "4812 PD173074 909716\n",
      "4813 KU-55933 905941\n",
      "4814 BMS-536924 909748\n",
      "4815 5-Fluorouracil 905939\n",
      "4816 Dactolisib 949157\n",
      "4817 Dabrafenib 906765\n",
      "4818 Olaparib 907046\n",
      "4819 KU-55933 949161\n",
      "4820 Olaparib 910689\n",
      "4821 Olaparib 1290905\n",
      "4822 BMS-345541 909731\n",
      "4823 Luminespib 724828\n",
      "4824 OSI-027 907060\n",
      "4825 Palbociclib 907317\n",
      "4826 AZD7762 1330985\n"
     ]
    }
   ],
   "source": [
    "for idx, data in enumerate(test_loader):\n",
    "    data = data.to(device)\n",
    "    drug = data.drug_name[0]\n",
    "    cell_line = data.cell_line_name[0]\n",
    "    filename = drug + '_' + cell_line +'.png'\n",
    "    print(idx, drug, cell_line)\n",
    "    \n",
    "    out, _, attn_weights = model(data.x, data.edge_index, data.target, data.batch, data.edge_features, return_attention_weights=True)    \n",
    "    attn_weights = attn_weights[1].to('cpu').detach().numpy()\n",
    "    attn_weights = attn_weights[:-data.x.shape[0], ]\n",
    "    \n",
    "    agg_attn_weights = np.zeros(int(attn_weights.shape[0]/2))\n",
    "    for i in range(0, agg_attn_weights.shape[0]):\n",
    "        agg_attn_weights[i] = attn_weights[2*i] + attn_weights[2*i+1]\n",
    "    norm_attn_weights = (agg_attn_weights - agg_attn_weights.min()) /(agg_attn_weights.max() - agg_attn_weights.min())\n",
    "    norm_attn_weights = norm_attn_weights.round(2)\n",
    "    \n",
    "    mol = Chem.MolFromSmiles(data.smiles[0])\n",
    "    for i, bond in enumerate(mol.GetBonds()):\n",
    "        bond.SetProp('bondNote',str(norm_attn_weights[i]))\n",
    "        \n",
    "    Chem.Draw.MolToImageFile(mol, d_save_path + filename, size = (1000, 1000))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "512aa5a9",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "gnn drug",
   "language": "python",
   "name": "gnndrug"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.8.13"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}