Created
March 14, 2025 15:35
-
-
Save PatWalters/b146c655f99c4021b7966750c2e1126b to your computer and use it in GitHub Desktop.
Showing an error when calling molpipeline.experimental.explainability.SHAPTreeExplainer
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
{ | |
"cells": [ | |
{ | |
"cell_type": "code", | |
"execution_count": 14, | |
"id": "914d5607-4d80-4b07-b823-02795ef98423", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"from molpipeline import Pipeline\n", | |
"from molpipeline.mol2mol import (\n", | |
" ElementFilter,\n", | |
" SaltRemover,\n", | |
")\n", | |
"from molpipeline.any2mol import AutoToMol\n", | |
"from molpipeline.mol2any import MolToMorganFP\n", | |
"\n", | |
"from sklearn.ensemble import RandomForestRegressor\n", | |
"import pandas as pd\n", | |
"from sklearn.model_selection import train_test_split\n", | |
"\n", | |
"from molpipeline.experimental.explainability import SHAPTreeExplainer\n", | |
"from molpipeline.experimental.explainability import (\n", | |
" structure_heatmap_shap,\n", | |
")\n", | |
"import seaborn as sns" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 8, | |
"id": "4998386c-a17b-4f70-8876-7032f4ce4c8a", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"df = pd.read_csv(\"biogen_logS.csv\")" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 9, | |
"id": "bb0bac2c-2a02-4a66-9c0a-ee9f449f9641", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"train, test = train_test_split(df)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 10, | |
"id": "f659cc77-34a1-4835-8f35-8e9c0b67486e", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"X = train.SMILES\n", | |
"y = train.logS " | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 11, | |
"id": "a7d635db-5cf9-4f70-85bb-0242bb0176c4", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"pipeline = Pipeline([\n", | |
" (\"auto2mol\", AutoToMol()), # reading molecules\n", | |
" (\"morgan2_2048\", MolToMorganFP(n_bits=2048, radius=2)), # fingerprints and featurization\n", | |
" (\"RandomForestRegressor\", RandomForestRegressor()) # machine learning model\n", | |
" ],\n", | |
" n_jobs=4)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 12, | |
"id": "b259f651-3361-4b18-8f07-d5e43aa54636", | |
"metadata": {}, | |
"outputs": [ | |
{ | |
"data": { | |
"text/html": [ | |
"<style>#sk-container-id-1 {\n", | |
" /* Definition of color scheme common for light and dark mode */\n", | |
" --sklearn-color-text: #000;\n", | |
" --sklearn-color-text-muted: #666;\n", | |
" --sklearn-color-line: gray;\n", | |
" /* Definition of color scheme for unfitted estimators */\n", | |
" --sklearn-color-unfitted-level-0: #fff5e6;\n", | |
" --sklearn-color-unfitted-level-1: #f6e4d2;\n", | |
" --sklearn-color-unfitted-level-2: #ffe0b3;\n", | |
" --sklearn-color-unfitted-level-3: chocolate;\n", | |
" /* Definition of color scheme for fitted estimators */\n", | |
" --sklearn-color-fitted-level-0: #f0f8ff;\n", | |
" --sklearn-color-fitted-level-1: #d4ebff;\n", | |
" --sklearn-color-fitted-level-2: #b3dbfd;\n", | |
" --sklearn-color-fitted-level-3: cornflowerblue;\n", | |
"\n", | |
" /* Specific color for light theme */\n", | |
" --sklearn-color-text-on-default-background: var(--sg-text-color, var(--theme-code-foreground, var(--jp-content-font-color1, black)));\n", | |
" --sklearn-color-background: var(--sg-background-color, var(--theme-background, var(--jp-layout-color0, white)));\n", | |
" --sklearn-color-border-box: var(--sg-text-color, var(--theme-code-foreground, var(--jp-content-font-color1, black)));\n", | |
" --sklearn-color-icon: #696969;\n", | |
"\n", | |
" @media (prefers-color-scheme: dark) {\n", | |
" /* Redefinition of color scheme for dark theme */\n", | |
" --sklearn-color-text-on-default-background: var(--sg-text-color, var(--theme-code-foreground, var(--jp-content-font-color1, white)));\n", | |
" --sklearn-color-background: var(--sg-background-color, var(--theme-background, var(--jp-layout-color0, #111)));\n", | |
" --sklearn-color-border-box: var(--sg-text-color, var(--theme-code-foreground, var(--jp-content-font-color1, white)));\n", | |
" --sklearn-color-icon: #878787;\n", | |
" }\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 {\n", | |
" color: var(--sklearn-color-text);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 pre {\n", | |
" padding: 0;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 input.sk-hidden--visually {\n", | |
" border: 0;\n", | |
" clip: rect(1px 1px 1px 1px);\n", | |
" clip: rect(1px, 1px, 1px, 1px);\n", | |
" height: 1px;\n", | |
" margin: -1px;\n", | |
" overflow: hidden;\n", | |
" padding: 0;\n", | |
" position: absolute;\n", | |
" width: 1px;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-dashed-wrapped {\n", | |
" border: 1px dashed var(--sklearn-color-line);\n", | |
" margin: 0 0.4em 0.5em 0.4em;\n", | |
" box-sizing: border-box;\n", | |
" padding-bottom: 0.4em;\n", | |
" background-color: var(--sklearn-color-background);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-container {\n", | |
" /* jupyter's `normalize.less` sets `[hidden] { display: none; }`\n", | |
" but bootstrap.min.css set `[hidden] { display: none !important; }`\n", | |
" so we also need the `!important` here to be able to override the\n", | |
" default hidden behavior on the sphinx rendered scikit-learn.org.\n", | |
" See: https://github.com/scikit-learn/scikit-learn/issues/21755 */\n", | |
" display: inline-block !important;\n", | |
" position: relative;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-text-repr-fallback {\n", | |
" display: none;\n", | |
"}\n", | |
"\n", | |
"div.sk-parallel-item,\n", | |
"div.sk-serial,\n", | |
"div.sk-item {\n", | |
" /* draw centered vertical line to link estimators */\n", | |
" background-image: linear-gradient(var(--sklearn-color-text-on-default-background), var(--sklearn-color-text-on-default-background));\n", | |
" background-size: 2px 100%;\n", | |
" background-repeat: no-repeat;\n", | |
" background-position: center center;\n", | |
"}\n", | |
"\n", | |
"/* Parallel-specific style estimator block */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel-item::after {\n", | |
" content: \"\";\n", | |
" width: 100%;\n", | |
" border-bottom: 2px solid var(--sklearn-color-text-on-default-background);\n", | |
" flex-grow: 1;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel {\n", | |
" display: flex;\n", | |
" align-items: stretch;\n", | |
" justify-content: center;\n", | |
" background-color: var(--sklearn-color-background);\n", | |
" position: relative;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel-item {\n", | |
" display: flex;\n", | |
" flex-direction: column;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel-item:first-child::after {\n", | |
" align-self: flex-end;\n", | |
" width: 50%;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel-item:last-child::after {\n", | |
" align-self: flex-start;\n", | |
" width: 50%;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-parallel-item:only-child::after {\n", | |
" width: 0;\n", | |
"}\n", | |
"\n", | |
"/* Serial-specific style estimator block */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-serial {\n", | |
" display: flex;\n", | |
" flex-direction: column;\n", | |
" align-items: center;\n", | |
" background-color: var(--sklearn-color-background);\n", | |
" padding-right: 1em;\n", | |
" padding-left: 1em;\n", | |
"}\n", | |
"\n", | |
"\n", | |
"/* Toggleable style: style used for estimator/Pipeline/ColumnTransformer box that is\n", | |
"clickable and can be expanded/collapsed.\n", | |
"- Pipeline and ColumnTransformer use this feature and define the default style\n", | |
"- Estimators will overwrite some part of the style using the `sk-estimator` class\n", | |
"*/\n", | |
"\n", | |
"/* Pipeline and ColumnTransformer style (default) */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-toggleable {\n", | |
" /* Default theme specific background. It is overwritten whether we have a\n", | |
" specific estimator or a Pipeline/ColumnTransformer */\n", | |
" background-color: var(--sklearn-color-background);\n", | |
"}\n", | |
"\n", | |
"/* Toggleable label */\n", | |
"#sk-container-id-1 label.sk-toggleable__label {\n", | |
" cursor: pointer;\n", | |
" display: flex;\n", | |
" width: 100%;\n", | |
" margin-bottom: 0;\n", | |
" padding: 0.5em;\n", | |
" box-sizing: border-box;\n", | |
" text-align: center;\n", | |
" align-items: start;\n", | |
" justify-content: space-between;\n", | |
" gap: 0.5em;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 label.sk-toggleable__label .caption {\n", | |
" font-size: 0.6rem;\n", | |
" font-weight: lighter;\n", | |
" color: var(--sklearn-color-text-muted);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 label.sk-toggleable__label-arrow:before {\n", | |
" /* Arrow on the left of the label */\n", | |
" content: \"▸\";\n", | |
" float: left;\n", | |
" margin-right: 0.25em;\n", | |
" color: var(--sklearn-color-icon);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 label.sk-toggleable__label-arrow:hover:before {\n", | |
" color: var(--sklearn-color-text);\n", | |
"}\n", | |
"\n", | |
"/* Toggleable content - dropdown */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-toggleable__content {\n", | |
" max-height: 0;\n", | |
" max-width: 0;\n", | |
" overflow: hidden;\n", | |
" text-align: left;\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-0);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-toggleable__content.fitted {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-0);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-toggleable__content pre {\n", | |
" margin: 0.2em;\n", | |
" border-radius: 0.25em;\n", | |
" color: var(--sklearn-color-text);\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-0);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-toggleable__content.fitted pre {\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-0);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 input.sk-toggleable__control:checked~div.sk-toggleable__content {\n", | |
" /* Expand drop-down */\n", | |
" max-height: 200px;\n", | |
" max-width: 100%;\n", | |
" overflow: auto;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 input.sk-toggleable__control:checked~label.sk-toggleable__label-arrow:before {\n", | |
" content: \"▾\";\n", | |
"}\n", | |
"\n", | |
"/* Pipeline/ColumnTransformer-specific style */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-label input.sk-toggleable__control:checked~label.sk-toggleable__label {\n", | |
" color: var(--sklearn-color-text);\n", | |
" background-color: var(--sklearn-color-unfitted-level-2);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-label.fitted input.sk-toggleable__control:checked~label.sk-toggleable__label {\n", | |
" background-color: var(--sklearn-color-fitted-level-2);\n", | |
"}\n", | |
"\n", | |
"/* Estimator-specific style */\n", | |
"\n", | |
"/* Colorize estimator box */\n", | |
"#sk-container-id-1 div.sk-estimator input.sk-toggleable__control:checked~label.sk-toggleable__label {\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-2);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-estimator.fitted input.sk-toggleable__control:checked~label.sk-toggleable__label {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-2);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-label label.sk-toggleable__label,\n", | |
"#sk-container-id-1 div.sk-label label {\n", | |
" /* The background is the default theme color */\n", | |
" color: var(--sklearn-color-text-on-default-background);\n", | |
"}\n", | |
"\n", | |
"/* On hover, darken the color of the background */\n", | |
"#sk-container-id-1 div.sk-label:hover label.sk-toggleable__label {\n", | |
" color: var(--sklearn-color-text);\n", | |
" background-color: var(--sklearn-color-unfitted-level-2);\n", | |
"}\n", | |
"\n", | |
"/* Label box, darken color on hover, fitted */\n", | |
"#sk-container-id-1 div.sk-label.fitted:hover label.sk-toggleable__label.fitted {\n", | |
" color: var(--sklearn-color-text);\n", | |
" background-color: var(--sklearn-color-fitted-level-2);\n", | |
"}\n", | |
"\n", | |
"/* Estimator label */\n", | |
"\n", | |
"#sk-container-id-1 div.sk-label label {\n", | |
" font-family: monospace;\n", | |
" font-weight: bold;\n", | |
" display: inline-block;\n", | |
" line-height: 1.2em;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-label-container {\n", | |
" text-align: center;\n", | |
"}\n", | |
"\n", | |
"/* Estimator-specific */\n", | |
"#sk-container-id-1 div.sk-estimator {\n", | |
" font-family: monospace;\n", | |
" border: 1px dotted var(--sklearn-color-border-box);\n", | |
" border-radius: 0.25em;\n", | |
" box-sizing: border-box;\n", | |
" margin-bottom: 0.5em;\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-0);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-estimator.fitted {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-0);\n", | |
"}\n", | |
"\n", | |
"/* on hover */\n", | |
"#sk-container-id-1 div.sk-estimator:hover {\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-2);\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 div.sk-estimator.fitted:hover {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-2);\n", | |
"}\n", | |
"\n", | |
"/* Specification for estimator info (e.g. \"i\" and \"?\") */\n", | |
"\n", | |
"/* Common style for \"i\" and \"?\" */\n", | |
"\n", | |
".sk-estimator-doc-link,\n", | |
"a:link.sk-estimator-doc-link,\n", | |
"a:visited.sk-estimator-doc-link {\n", | |
" float: right;\n", | |
" font-size: smaller;\n", | |
" line-height: 1em;\n", | |
" font-family: monospace;\n", | |
" background-color: var(--sklearn-color-background);\n", | |
" border-radius: 1em;\n", | |
" height: 1em;\n", | |
" width: 1em;\n", | |
" text-decoration: none !important;\n", | |
" margin-left: 0.5em;\n", | |
" text-align: center;\n", | |
" /* unfitted */\n", | |
" border: var(--sklearn-color-unfitted-level-1) 1pt solid;\n", | |
" color: var(--sklearn-color-unfitted-level-1);\n", | |
"}\n", | |
"\n", | |
".sk-estimator-doc-link.fitted,\n", | |
"a:link.sk-estimator-doc-link.fitted,\n", | |
"a:visited.sk-estimator-doc-link.fitted {\n", | |
" /* fitted */\n", | |
" border: var(--sklearn-color-fitted-level-1) 1pt solid;\n", | |
" color: var(--sklearn-color-fitted-level-1);\n", | |
"}\n", | |
"\n", | |
"/* On hover */\n", | |
"div.sk-estimator:hover .sk-estimator-doc-link:hover,\n", | |
".sk-estimator-doc-link:hover,\n", | |
"div.sk-label-container:hover .sk-estimator-doc-link:hover,\n", | |
".sk-estimator-doc-link:hover {\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-3);\n", | |
" color: var(--sklearn-color-background);\n", | |
" text-decoration: none;\n", | |
"}\n", | |
"\n", | |
"div.sk-estimator.fitted:hover .sk-estimator-doc-link.fitted:hover,\n", | |
".sk-estimator-doc-link.fitted:hover,\n", | |
"div.sk-label-container:hover .sk-estimator-doc-link.fitted:hover,\n", | |
".sk-estimator-doc-link.fitted:hover {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-3);\n", | |
" color: var(--sklearn-color-background);\n", | |
" text-decoration: none;\n", | |
"}\n", | |
"\n", | |
"/* Span, style for the box shown on hovering the info icon */\n", | |
".sk-estimator-doc-link span {\n", | |
" display: none;\n", | |
" z-index: 9999;\n", | |
" position: relative;\n", | |
" font-weight: normal;\n", | |
" right: .2ex;\n", | |
" padding: .5ex;\n", | |
" margin: .5ex;\n", | |
" width: min-content;\n", | |
" min-width: 20ex;\n", | |
" max-width: 50ex;\n", | |
" color: var(--sklearn-color-text);\n", | |
" box-shadow: 2pt 2pt 4pt #999;\n", | |
" /* unfitted */\n", | |
" background: var(--sklearn-color-unfitted-level-0);\n", | |
" border: .5pt solid var(--sklearn-color-unfitted-level-3);\n", | |
"}\n", | |
"\n", | |
".sk-estimator-doc-link.fitted span {\n", | |
" /* fitted */\n", | |
" background: var(--sklearn-color-fitted-level-0);\n", | |
" border: var(--sklearn-color-fitted-level-3);\n", | |
"}\n", | |
"\n", | |
".sk-estimator-doc-link:hover span {\n", | |
" display: block;\n", | |
"}\n", | |
"\n", | |
"/* \"?\"-specific style due to the `<a>` HTML tag */\n", | |
"\n", | |
"#sk-container-id-1 a.estimator_doc_link {\n", | |
" float: right;\n", | |
" font-size: 1rem;\n", | |
" line-height: 1em;\n", | |
" font-family: monospace;\n", | |
" background-color: var(--sklearn-color-background);\n", | |
" border-radius: 1rem;\n", | |
" height: 1rem;\n", | |
" width: 1rem;\n", | |
" text-decoration: none;\n", | |
" /* unfitted */\n", | |
" color: var(--sklearn-color-unfitted-level-1);\n", | |
" border: var(--sklearn-color-unfitted-level-1) 1pt solid;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 a.estimator_doc_link.fitted {\n", | |
" /* fitted */\n", | |
" border: var(--sklearn-color-fitted-level-1) 1pt solid;\n", | |
" color: var(--sklearn-color-fitted-level-1);\n", | |
"}\n", | |
"\n", | |
"/* On hover */\n", | |
"#sk-container-id-1 a.estimator_doc_link:hover {\n", | |
" /* unfitted */\n", | |
" background-color: var(--sklearn-color-unfitted-level-3);\n", | |
" color: var(--sklearn-color-background);\n", | |
" text-decoration: none;\n", | |
"}\n", | |
"\n", | |
"#sk-container-id-1 a.estimator_doc_link.fitted:hover {\n", | |
" /* fitted */\n", | |
" background-color: var(--sklearn-color-fitted-level-3);\n", | |
"}\n", | |
"</style><div id=\"sk-container-id-1\" class=\"sk-top-container\"><div class=\"sk-text-repr-fallback\"><pre>Pipeline(n_jobs=4,\n", | |
" steps=[('auto2mol', AutoToMol()), ('morgan2_2048', MolToMorganFP()),\n", | |
" ('RandomForestRegressor', RandomForestRegressor())])</pre><b>In a Jupyter environment, please rerun this cell to show the HTML representation or trust the notebook. <br />On GitHub, the HTML representation is unable to render, please try loading this page with nbviewer.org.</b></div><div class=\"sk-container\" hidden><div class=\"sk-item sk-dashed-wrapped\"><div class=\"sk-label-container\"><div class=\"sk-label fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-1\" type=\"checkbox\" ><label for=\"sk-estimator-id-1\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow\"><div><div>Pipeline</div></div><div><span class=\"sk-estimator-doc-link fitted\">i<span>Fitted</span></span></div></label><div class=\"sk-toggleable__content fitted\"><pre>Pipeline(n_jobs=4,\n", | |
" steps=[('auto2mol', AutoToMol()), ('morgan2_2048', MolToMorganFP()),\n", | |
" ('RandomForestRegressor', RandomForestRegressor())])</pre></div> </div></div><div class=\"sk-serial\"><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-2\" type=\"checkbox\" ><label for=\"sk-estimator-id-2\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow\"><div><div>AutoToMol</div></div></label><div class=\"sk-toggleable__content fitted\"><pre>AutoToMol()</pre></div> </div></div><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-3\" type=\"checkbox\" ><label for=\"sk-estimator-id-3\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow\"><div><div>MolToMorganFP</div></div></label><div class=\"sk-toggleable__content fitted\"><pre>MolToMorganFP()</pre></div> </div></div><div class=\"sk-item\"><div class=\"sk-estimator fitted sk-toggleable\"><input class=\"sk-toggleable__control sk-hidden--visually\" id=\"sk-estimator-id-4\" type=\"checkbox\" ><label for=\"sk-estimator-id-4\" class=\"sk-toggleable__label fitted sk-toggleable__label-arrow\"><div><div>RandomForestRegressor</div></div><div><a class=\"sk-estimator-doc-link fitted\" rel=\"noreferrer\" target=\"_blank\" href=\"https://scikit-learn.org/1.6/modules/generated/sklearn.ensemble.RandomForestRegressor.html\">?<span>Documentation for RandomForestRegressor</span></a></div></label><div class=\"sk-toggleable__content fitted\"><pre>RandomForestRegressor()</pre></div> </div></div></div></div></div></div>" | |
], | |
"text/plain": [ | |
"Pipeline(n_jobs=4,\n", | |
" steps=[('auto2mol', AutoToMol()), ('morgan2_2048', MolToMorganFP()),\n", | |
" ('RandomForestRegressor', RandomForestRegressor())])" | |
] | |
}, | |
"execution_count": 12, | |
"metadata": {}, | |
"output_type": "execute_result" | |
} | |
], | |
"source": [ | |
"pipeline.fit(X=X,y=y)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 13, | |
"id": "29181115-d444-4f5f-a61d-bc929aedb34f", | |
"metadata": {}, | |
"outputs": [], | |
"source": [ | |
"pred = pipeline.predict(test.SMILES)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 15, | |
"id": "819da5c8-fddc-4e93-ae83-6309ab8b5b30", | |
"metadata": {}, | |
"outputs": [ | |
{ | |
"data": { | |
"text/plain": [ | |
"<Axes: xlabel='logS'>" | |
] | |
}, | |
"execution_count": 15, | |
"metadata": {}, | |
"output_type": "execute_result" | |
}, | |
{ | |
"data": { | |
"image/png": "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", | |
"text/plain": [ | |
"<Figure size 640x480 with 1 Axes>" | |
] | |
}, | |
"metadata": {}, | |
"output_type": "display_data" | |
} | |
], | |
"source": [ | |
"sns.regplot(x=test.logS,y=pred)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 16, | |
"id": "a97f81d3-abef-4dde-b907-3c5dfb96d237", | |
"metadata": {}, | |
"outputs": [ | |
{ | |
"ename": "ExplainerError", | |
"evalue": "Additivity check failed in TreeExplainer! Please ensure the data matrix you passed to the explainer is the same shape that the model was trained on. If your data shape is correct then please report this on GitHub. Consider retrying with the feature_perturbation='interventional' option. This check failed because for one of the samples the sum of the SHAP values was -9711888870972.101562, while the model output was 1.417868. If this difference is acceptable you can set check_additivity=False to disable this check.", | |
"output_type": "error", | |
"traceback": [ | |
"\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", | |
"\u001b[0;31mExplainerError\u001b[0m Traceback (most recent call last)", | |
"Cell \u001b[0;32mIn[16], line 2\u001b[0m\n\u001b[1;32m 1\u001b[0m explainer \u001b[38;5;241m=\u001b[39m SHAPTreeExplainer(pipeline)\n\u001b[0;32m----> 2\u001b[0m explanations \u001b[38;5;241m=\u001b[39m \u001b[43mexplainer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mexplain\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m)\u001b[49m\n", | |
"File \u001b[0;32m~/miniforge3/envs/rdkit_2025_01/lib/python3.11/site-packages/molpipeline/experimental/explainability/explainer.py:308\u001b[0m, in \u001b[0;36mSHAPExplainerAdapter.explain\u001b[0;34m(self, X, **kwargs)\u001b[0m\n\u001b[1;32m 305\u001b[0m \u001b[38;5;28;01mcontinue\u001b[39;00m\n\u001b[1;32m 307\u001b[0m \u001b[38;5;66;03m# compute the shap values for the features\u001b[39;00m\n\u001b[0;32m--> 308\u001b[0m feature_weights \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mexplainer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mshap_values\u001b[49m\u001b[43m(\u001b[49m\u001b[43mfeature_vector\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 309\u001b[0m feature_weights \u001b[38;5;241m=\u001b[39m np\u001b[38;5;241m.\u001b[39masarray(feature_weights)\u001b[38;5;241m.\u001b[39msqueeze()\n\u001b[1;32m 311\u001b[0m atom_weights \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", | |
"File \u001b[0;32m~/miniforge3/envs/rdkit_2025_01/lib/python3.11/site-packages/shap/explainers/_tree.py:633\u001b[0m, in \u001b[0;36mTreeExplainer.shap_values\u001b[0;34m(self, X, y, tree_limit, approximate, check_additivity, from_call)\u001b[0m\n\u001b[1;32m 631\u001b[0m out \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_get_shap_output(phi, flat_output)\n\u001b[1;32m 632\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m check_additivity \u001b[38;5;129;01mand\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mmodel\u001b[38;5;241m.\u001b[39mmodel_output \u001b[38;5;241m==\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mraw\u001b[39m\u001b[38;5;124m\"\u001b[39m:\n\u001b[0;32m--> 633\u001b[0m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43massert_additivity\u001b[49m\u001b[43m(\u001b[49m\u001b[43mout\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmodel\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mpredict\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m)\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 635\u001b[0m \u001b[38;5;66;03m# This statements handles the case of multiple outputs\u001b[39;00m\n\u001b[1;32m 636\u001b[0m \u001b[38;5;66;03m# e.g. a multi-class classification problem, multi-target regression problem\u001b[39;00m\n\u001b[1;32m 637\u001b[0m \u001b[38;5;66;03m# in this case the output shape corresponds to [num_samples, num_features, num_outputs]\u001b[39;00m\n\u001b[1;32m 638\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(out, \u001b[38;5;28mlist\u001b[39m):\n", | |
"File \u001b[0;32m~/miniforge3/envs/rdkit_2025_01/lib/python3.11/site-packages/shap/explainers/_tree.py:817\u001b[0m, in \u001b[0;36mTreeExplainer.assert_additivity\u001b[0;34m(self, phi, model_output)\u001b[0m\n\u001b[1;32m 815\u001b[0m check_sum(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mexpected_value[i] \u001b[38;5;241m+\u001b[39m phi[i]\u001b[38;5;241m.\u001b[39msum(\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m), model_output[:, i])\n\u001b[1;32m 816\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m--> 817\u001b[0m \u001b[43mcheck_sum\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mexpected_value\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m+\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mphi\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msum\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m-\u001b[39;49m\u001b[38;5;241;43m1\u001b[39;49m\u001b[43m)\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mmodel_output\u001b[49m\u001b[43m)\u001b[49m\n", | |
"File \u001b[0;32m~/miniforge3/envs/rdkit_2025_01/lib/python3.11/site-packages/shap/explainers/_tree.py:811\u001b[0m, in \u001b[0;36mTreeExplainer.assert_additivity.<locals>.check_sum\u001b[0;34m(sum_val, model_output)\u001b[0m\n\u001b[1;32m 805\u001b[0m err_msg \u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m Consider retrying with the feature_perturbation=\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124minterventional\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m option.\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 806\u001b[0m err_msg \u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m (\n\u001b[1;32m 807\u001b[0m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m This check failed because for one of the samples the sum of the SHAP values\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 808\u001b[0m \u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m was \u001b[39m\u001b[38;5;132;01m{\u001b[39;00msum_val[ind]\u001b[38;5;132;01m:\u001b[39;00m\u001b[38;5;124mf\u001b[39m\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m, while the model output was \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mmodel_output[ind]\u001b[38;5;132;01m:\u001b[39;00m\u001b[38;5;124mf\u001b[39m\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m. If this\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 809\u001b[0m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m difference is acceptable you can set check_additivity=False to disable this check.\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 810\u001b[0m )\n\u001b[0;32m--> 811\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m ExplainerError(err_msg)\n", | |
"\u001b[0;31mExplainerError\u001b[0m: Additivity check failed in TreeExplainer! Please ensure the data matrix you passed to the explainer is the same shape that the model was trained on. If your data shape is correct then please report this on GitHub. Consider retrying with the feature_perturbation='interventional' option. This check failed because for one of the samples the sum of the SHAP values was -9711888870972.101562, while the model output was 1.417868. If this difference is acceptable you can set check_additivity=False to disable this check." | |
] | |
} | |
], | |
"source": [ | |
"explainer = SHAPTreeExplainer(pipeline)\n", | |
"explanations = explainer.explain(X)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": null, | |
"id": "0ee68cdd-f7f9-4a4b-b5f3-12179a8c1318", | |
"metadata": {}, | |
"outputs": [], | |
"source": [] | |
} | |
], | |
"metadata": { | |
"kernelspec": { | |
"display_name": "Python 3 (ipykernel)", | |
"language": "python", | |
"name": "python3" | |
}, | |
"language_info": { | |
"codemirror_mode": { | |
"name": "ipython", | |
"version": 3 | |
}, | |
"file_extension": ".py", | |
"mimetype": "text/x-python", | |
"name": "python", | |
"nbconvert_exporter": "python", | |
"pygments_lexer": "ipython3", | |
"version": "3.11.11" | |
} | |
}, | |
"nbformat": 4, | |
"nbformat_minor": 5 | |
} |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Internal ID | Vendor ID | SMILES | CollectionName | logS | |
---|---|---|---|---|---|
Mol1 | 317714313 | CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 | emolecules | 0.089905111 | |
Mol2 | 324056965 | CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1 | emolecules | 0.550228353 | |
Mol4 | 194963090 | CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O | emolecules | 1.657055853 | |
Mol6 | 316230505 | CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 | emolecules | 1.033423755 | |
Mol9 | EN300-97039 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | enamineBB_pmc | 0.93399 | |
Mol12 | 2171363 | COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 | emolecules | 1.751610089 | |
Mol16 | 300112437 | COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2 | emolecules | 1.818225894 | |
Mol17 | 48544545 | N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1 | emolecules | 1.414137362 | |
Mol18 | 44507857 | CCCc1cc(N2CCc3c(nc(C4CC4)n3C)C2)n2ncnc2n1 | emolecules | 1.726482697 | |
Mol21 | 106663882 | C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C | emolecules | 1.729974286 | |
Mol23 | 316756775 | [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC | emolecules | 1.229809783 | |
Mol24 | 114309331 | C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 | emolecules | 1.004321374 | |
Mol25 | 53744933 | Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl | emolecules | 1.475235223 | |
Mol26 | 207623013 | Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O | emolecules | 0.380211242 | |
Mol27 | 324038090 | Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1 | emolecules | 0.342422681 | |
Mol28 | 322748925 | O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1 | emolecules | 1.610127613 | |
Mol30 | 36557633 | N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 | emolecules | 1.538196578 | |
Mol31 | 1447149 | CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1 | emolecules | 0.397940009 | |
Mol33 | LN01345100 | CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | labnetworkBB | 1.810232518 | |
Mol35 | 68868488 | C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | emolecules | 1.75089392 | |
Mol36 | 316276642 | CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 | emolecules | 1.553276046 | |
Mol37 | 324043470 | CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1 | emolecules | 0.431363764 | |
Mol39 | 252308493 | C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl | emolecules | 1.548389418 | |
Mol40 | 32130783 | COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1 | emolecules | 0.774516966 | |
Mol41 | 202119 | Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1 | emolecules | 1.399673721 | |
Mol42 | 110118917 | O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1 | emolecules | 1.653212514 | |
Mol43 | 207447 | Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1 | emolecules | 1.465382851 | |
Mol44 | 313516892 | Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1 | emolecules | 1.527333397 | |
Mol45 | 168892617 | CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12 | emolecules | 1.247359422 | |
Mol46 | 313548577 | Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O | emolecules | 1.522444234 | |
Mol47 | 49863827 | Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1 | emolecules | 1.601516784 | |
Mol48 | 53790787 | Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C | emolecules | 1.51851394 | |
Mol49 | 45816980 | COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 | emolecules | 1.559308011 | |
Mol50 | 89942308 | COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 | emolecules | 1.729974286 | |
Mol51 | 48239418 | Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1 | emolecules | 1.722633923 | |
Mol52 | 139133 | Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1 | emolecules | 1.376576957 | |
Mol53 | 89942282 | CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1 | emolecules | 1.780317312 | |
Mol54 | 28294753 | C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 | emolecules | 1.614833965 | |
Mol55 | 139117 | CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1 | emolecules | 1.924795996 | |
Mol56 | 202525 | CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1 | emolecules | 1.761927838 | |
Mol57 | 202527 | CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1 | emolecules | 1.759667845 | |
Mol58 | 31929526 | O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1 | emolecules | 1.710117365 | |
Mol59 | 189638257 | O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F | emolecules | 1.84260924 | |
Mol60 | 189741166 | Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1 | emolecules | 1.793790385 | |
Mol61 | 49311027 | O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl | emolecules | 1.645422269 | |
Mol62 | 1284751 | C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 | emolecules | 1.718667735 | |
Mol63 | 299989682 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 | emolecules | 1.716837723 | |
Mol64 | 140075 | CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 | emolecules | 1.361727836 | |
Mol65 | 49901113 | OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1 | emolecules | 1.514149134 | |
Mol66 | 200967 | Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 | emolecules | 1.260071388 | |
Mol67 | 32236728 | OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1 | emolecules | 1.62324929 | |
Mol68 | 48337674 | CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1 | emolecules | 1.710117365 | |
Mol69 | 180601629 | COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1 | emolecules | 0.69019608 | |
Mol70 | 17268136 | c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1 | emolecules | 1.824125834 | |
Mol71 | 32449297 | COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1 | emolecules | 1.653212514 | |
Mol72 | 324071118 | Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12 | emolecules | 1.372175286 | |
Mol73 | 2066408 | OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1 | emolecules | 1.620136055 | |
Mol74 | 89942016 | Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12 | emolecules | 0.880813592 | |
Mol75 | 72973189 | CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1 | emolecules | 1.11058971 | |
Mol76 | 32234428 | Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1 | emolecules | 1.651278014 | |
Mol77 | 202517 | Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 | emolecules | 1.155336037 | |
Mol78 | 45636709 | O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1 | emolecules | 0.45484486 | |
Mol79 | 104447483 | O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21 | emolecules | 0.662757832 | |
Mol80 | 300003450 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | emolecules | 1.780605306 | |
Mol81 | 317744209 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1 | emolecules | 1.456366033 | |
Mol82 | 13329354 | CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 | emolecules | 1.409764104 | |
Mol83 | 49837463 | O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 | emolecules | 1.673020907 | |
Mol84 | 316273071 | CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O | emolecules | 1.82672252 | |
Mol85 | 49259954 | CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 | emolecules | 0.819543936 | |
Mol86 | 317503340 | NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1 | emolecules | 1.480006943 | |
Mol87 | 44507855 | Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2 | emolecules | 1.702430536 | |
Mol88 | LN00198968 | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | labnetworkBB | 0.720159303 | |
Mol89 | 319760048 | COc1nn(C)cc1C(=O)Nc1cccc2cnccc12 | emolecules | 1.607455023 | |
Mol90 | 393556 | CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1 | emolecules | 1.759667845 | |
Mol140 | 313513564 | CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 | emolecules | 1.596926814 | |
Mol143 | 32021190 | O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1 | emolecules | 1.630936119 | |
Mol144 | Z29433525 | O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1 | enamineHTS | 0.568201724 | |
Mol147 | 301048201 | CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1 | emolecules | 0.439332694 | |
Mol148 | 106928257 | O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1 | emolecules | 0.041392685 | |
Mol149 | 315276693 | COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1 | emolecules | 1.660865478 | |
Mol153 | 95696282 | CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F | emolecules | 1.729002709 | |
Mol154 | 89942320 | C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21 | emolecules | 1.573741642 | |
Mol155 | 71008775 | Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 | emolecules | 1.811239773 | |
Mol157 | 104336645 | C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 | emolecules | 1.663229635 | |
Mol158 | 315272596 | Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F | emolecules | 0.484299839 | |
Mol160 | 46339059 | C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1 | emolecules | 0.579783597 | |
Mol162 | 320405235 | C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C | emolecules | 1.770115295 | |
Mol164 | 317451564 | N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1 | emolecules | 1.555094449 | |
Mol165 | 313519451 | CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12 | emolecules | 1.660960292 | |
Mol166 | 35732653 | Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 | emolecules | 0.770852012 | |
Mol167 | 42768719 | CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 | emolecules | 1.837525309 | |
Mol168 | 11480017 | COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1 | emolecules | 0.672097858 | |
Mol169 | 2057338 | c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1 | emolecules | 0.977723605 | |
Mol170 | 11480019 | CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1 | emolecules | 1.290034611 | |
Mol173 | 5514552 | O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1 | emolecules | 1.766115283 | |
Mol174 | 36571105 | Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1 | emolecules | 1.690284703 | |
Mol175 | 36427432 | CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1 | emolecules | 1.279210513 | |
Mol176 | 73036824 | O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1 | emolecules | 1.906873535 | |
Mol177 | 32409538 | CCn1ncnc1-c1[nH]cnc1-c1ccccc1 | emolecules | 1.362293938 | |
Mol178 | 31890078 | Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C | emolecules | 1.350248018 | |
Mol179 | 49994071 | Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1 | emolecules | 1.517063873 | |
Mol180 | 31930262 | Cc1cc(CN(C)Cc2cscn2)no1 | emolecules | 1.457124626 | |
Mol181 | 32132063 | Cc1occc1C(=O)NCC(=O)Nc1nc2cc(Cl)ccc2n1C | emolecules | 1.434568904 | |
Mol182 | 13475108 | CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 | emolecules | 1.611723308 | |
Mol183 | 31209008 | c1ccc(-c2noc(NC3CC3)n2)cc1 | emolecules | 1.451786436 | |
Mol184 | Z224124934 | Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12 | enamineHTS | 1.867644234 | |
Mol185 | 300620222 | CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1 | emolecules | 1.89187183 | |
Mol186 | 33312761 | O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1 | emolecules | 1.69862243 | |
Mol187 | 1552730 | COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1 | emolecules | 1.591064607 | |
Mol188 | 18877730 | O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O | emolecules | 0.385606274 | |
Mol189 | 32093544 | CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1 | emolecules | 1.57054294 | |
Mol190 | 31384184 | COc1ccc(CCC(=O)N2CCCNCC2)cc1 | emolecules | 1.552668216 | |
Mol191 | 425680 | Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1 | emolecules | 1.826851948 | |
Mol192 | 30400370 | O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1 | emolecules | 0.84509804 | |
Mol193 | 36675429 | C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1 | emolecules | 1.562530769 | |
Mol194 | 48247380 | CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1 | emolecules | 1.682325619 | |
Mol195 | 32080176 | O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1 | emolecules | 1.546542663 | |
Mol196 | 44712587 | CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1 | emolecules | 1.626340367 | |
Mol197 | 29621147 | O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1 | emolecules | 1.62838893 | |
Mol198 | 4017382 | COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC | emolecules | 1.870813424 | |
Mol199 | 42907173 | CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1 | emolecules | 1.703549298 | |
Mol200 | 24501994 | CCCCNC(=O)c1cccc2ncccc12 | emolecules | 1.467312063 | |
Mol201 | 30455849 | COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1 | emolecules | 1.743274524 | |
Mol202 | 32063538 | Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F | emolecules | 1.87875152 | |
Mol203 | 11964390 | COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C | emolecules | 1.674585602 | |
Mol204 | 49292072 | Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1 | emolecules | 1.642068627 | |
Mol205 | 73032016 | CC(C)CNc1nnc(SCc2ccncc2)s1 | emolecules | 1.680788612 | |
Mol206 | 24884318 | COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1 | emolecules | 1.59900924 | |
Mol207 | 17091023 | Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C | emolecules | 1.666424373 | |
Mol208 | 161275 | Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1 | emolecules | 1.823637222 | |
Mol209 | 31341416 | CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1 | emolecules | 1.704150517 | |
Mol210 | 48547363 | O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2 | emolecules | 1.624282096 | |
Mol211 | 49646610 | CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1 | emolecules | 1.504742636 | |
Mol212 | 1296389 | CC(=O)Nc1ccc2nc(C)cc(O)c2c1 | emolecules | 1.587710965 | |
Mol213 | 318302594 | O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1 | emolecules | 1.075546961 | |
Mol214 | 31959693 | CC1CCN(CCNC(=O)c2ccncc2)CC1 | emolecules | 1.533899101 | |
Mol215 | 35701590 | CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1 | emolecules | 1.614897216 | |
Mol216 | 36303318 | CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1 | emolecules | 1.543074235 | |
Mol217 | 146921 | Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C | emolecules | 1.59835271 | |
Mol218 | 250347 | O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1 | emolecules | 1.658869592 | |
Mol219 | 25002833 | CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 | emolecules | 1.29666519 | |
Mol220 | 2877070 | COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1 | emolecules | 1.191171456 | |
Mol221 | 33297597 | O=C(CCOc1ccccc1)N1CCCC1 | emolecules | 1.589949601 | |
Mol222 | 48234480 | c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1 | emolecules | 1.536558443 | |
Mol223 | 11480138 | COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1 | emolecules | 0.691965103 | |
Mol224 | 32065258 | CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1 | emolecules | 1.671635597 | |
Mol225 | 49874322 | COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1 | emolecules | 1.67329744 | |
Mol226 | 35762297 | Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C | emolecules | 1.553883027 | |
Mol227 | 49915301 | CCNC(=O)C1CN(c2cccc(C#N)n2)C1 | emolecules | 1.632558515 | |
Mol228 | 25737863 | O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1 | emolecules | 1.619093331 | |
Mol229 | 137015 | CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1 | emolecules | 1.656098202 | |
Mol230 | 46615054 | c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1 | emolecules | 1.195346058 | |
Mol231 | 3347988 | Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1 | emolecules | 1.80611211 | |
Mol232 | 8296397 | NCc1cccc(C(=O)N2CCCC2)c1 | emolecules | 1.404833717 | |
Mol233 | 48806523 | Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1 | emolecules | 1.714916248 | |
Mol234 | 24121680 | Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1 | emolecules | 1.639386869 | |
Mol235 | 24121594 | O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1 | emolecules | 1.501196242 | |
Mol236 | 33303147 | CNC(=O)c1ccc(N2CCCC2)nc1 | emolecules | 1.540329475 | |
Mol237 | 29578498 | Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1 | emolecules | 1.542825427 | |
Mol238 | 29578860 | Cc1cc(C(=O)Nc2cccc3ncccc23)on1 | emolecules | 1.656768779 | |
Mol239 | 49993241 | CN(c1ncnc2c1cnn2CCO)C1CCCCC1 | emolecules | 1.650307523 | |
Mol240 | 44811748 | NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O | emolecules | 1.646893624 | |
Mol241 | 31968180 | CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1 | emolecules | 1.660486016 | |
Mol242 | 48304378 | Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C | emolecules | 1.266936911 | |
Mol243 | 48237764 | Clc1cccc(CNc2nc(C3CC3)no2)c1 | emolecules | 1.466719372 | |
Mol244 | 410858 | Cc1ccc(-c2nc(NCc3ccco3)ncc2-c2cc(C)no2)cn1 | emolecules | 1.012837225 | |
Mol245 | 329500 | O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O | emolecules | 1.51851394 | |
Mol246 | 49953876 | COc1nc(C)nc(N(C)Cc2nccs2)c1C | emolecules | 1.473778835 | |
Mol247 | 36308604 | O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1 | emolecules | 1.432006687 | |
Mol248 | 27415022 | CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N | emolecules | 1.467756051 | |
Mol249 | 45649160 | CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21 | emolecules | 1.149219113 | |
Mol250 | 24883078 | COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1 | emolecules | 1.911317442 | |
Mol251 | 150563 | O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1 | emolecules | 1.555698895 | |
Mol252 | 48247166 | CNC(=O)c1ccc(N(C)C2CCC2)nn1 | emolecules | 1.674585602 | |
Mol253 | 48758418 | CC#CCNc1ccc(-n2cnnn2)c(C)c1 | emolecules | 1.28780173 | |
Mol254 | 830565 | Nc1nc2ccccc2nc1N1CCCC1 | emolecules | 1.474944335 | |
Mol255 | 1539589 | CCn1c(=O)n(CC)c2cc(N)ccc21 | emolecules | 1.574031268 | |
Mol256 | 48613632 | Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1 | emolecules | 1.81391442 | |
Mol257 | 48613628 | COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1 | emolecules | 1.825945143 | |
Mol258 | 43805996 | CCc1nnc(NC(=O)Cc2cccc(F)c2)s1 | emolecules | 1.086359831 | |
Mol259 | 15275058 | O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F | emolecules | 1.288919606 | |
Mol260 | 16678763 | Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 | emolecules | 1.409933123 | |
Mol261 | 43643219 | O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1 | emolecules | 1.569958818 | |
Mol262 | 36647090 | COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1 | emolecules | 1.74390155 | |
Mol263 | 33324457 | CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1 | emolecules | 0.250420002 | |
Mol264 | 35986174 | Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1 | emolecules | 1.159567193 | |
Mol265 | 151085 | COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1 | emolecules | 0.908485019 | |
Mol266 | 31931312 | O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 | emolecules | 1.770778396 | |
Mol267 | 48339568 | Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1 | emolecules | 1.745074792 | |
Mol268 | 48761324 | COCC1CCN(c2noc(-c3cccs3)n2)CC1 | emolecules | 1.109578547 | |
Mol269 | 33297195 | NC(=O)COc1ccccc1-c1ccccc1 | emolecules | 1.59117595 | |
Mol270 | 46034633 | Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1 | emolecules | 1.573567773 | |
Mol271 | 42961554 | Cc1cccn(Cc2cccc(F)c2)c1=O | emolecules | 1.377488383 | |
Mol272 | 31856266 | C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.60906055 | |
Mol273 | 72973342 | Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 | emolecules | 0.492760389 | |
Mol274 | 23816897 | Cc1ccc(-c2cn(CC3CCN(Cc4c[nH]c(C)n4)CC3)nn2)cc1 | emolecules | 1.397940009 | |
Mol275 | 24126665 | Clc1ccc2c(Oc3cccnc3)ncnc2c1 | emolecules | 1.5984622 | |
Mol276 | 13331036 | CC(C)(C)c1csc(NC(=O)C2CC2)n1 | emolecules | 1.465977368 | |
Mol277 | 23671374 | Cc1ccc(C(=O)Nc2ncccc2C)s1 | emolecules | 1.5774918 | |
Mol278 | 37009025 | CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1 | emolecules | 1.797267541 | |
Mol279 | 151211 | COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1 | emolecules | 1.412124406 | |
Mol280 | 6116580 | O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 | emolecules | 1.635986112 | |
Mol281 | 16159378 | O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1 | emolecules | 1.7182525 | |
Mol282 | 44107241 | O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12 | emolecules | 0.117271296 | |
Mol283 | 32106016 | CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1 | emolecules | 1.306853749 | |
Mol284 | 32127001 | Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1 | emolecules | 1.677971753 | |
Mol285 | 49330331 | CN(CCC1CCCCC1)C(=O)c1ccon1 | emolecules | 1.84460142 | |
Mol286 | 32176681 | CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1 | emolecules | 1.817300878 | |
Mol287 | 300525339 | CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 | emolecules | 1.698535493 | |
Mol288 | 17400188 | COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O | emolecules | 1.727459921 | |
Mol289 | 30151761 | O=C(O)c1ccc(N2CCCC2)c(F)c1 | emolecules | 1.435844366 | |
Mol290 | 20173881 | Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1 | emolecules | 0.98811284 | |
Mol291 | 42923335 | Cc1cc(NC(=O)C2CCOCC2)sn1 | emolecules | 1.751817788 | |
Mol292 | 300449850 | O=C(CC1CCNCC1)NCCc1ccccc1F | emolecules | 1.767081621 | |
Mol293 | 29566339 | N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1 | emolecules | 1.398981067 | |
Mol294 | 32391674 | N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1 | emolecules | 1.718086295 | |
Mol295 | 44551318 | CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O | emolecules | 1.522313795 | |
Mol296 | Z1169976242 | C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1 | enamineHTS | 1.695043659 | |
Mol297 | 36256386 | Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1 | emolecules | 1.525951341 | |
Mol298 | 44402919 | NC(=O)Cn1cc(-c2ccc(F)cc2)cn1 | emolecules | 1.446692466 | |
Mol299 | 19625558 | CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1 | emolecules | 1.541828767 | |
Mol300 | 15267170 | Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 | emolecules | 1.390935107 | |
Mol301 | 249423 | CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O | emolecules | 2.179264464 | |
Mol302 | 313524054 | N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1 | emolecules | 1.829303773 | |
Mol303 | 31856931 | CNC(=O)Cc1csc(-c2ccc(C)cc2)n1 | emolecules | 0.608526034 | |
Mol304 | 32033566 | COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1 | emolecules | 1.670709595 | |
Mol305 | 24027900 | CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 | emolecules | 0.008600172 | |
Mol306 | 300430678 | CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 | emolecules | 1.829368108 | |
Mol307 | 43370379 | N#CCCN(c1ncnc2sccc12)C1CC1 | emolecules | 1.600101256 | |
Mol308 | 23966628 | Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3 | emolecules | 1.756636108 | |
Mol309 | 18817139 | O=c1n(CCc2ccncc2)nnn1-c1ccccc1 | emolecules | 1.363047595 | |
Mol310 | 32180530 | CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1 | emolecules | 0.62324929 | |
Mol311 | 1527912 | COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1 | emolecules | 1.869994 | |
Mol312 | 46092427 | COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1 | emolecules | 1.543074235 | |
Mol313 | 32433398 | O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1 | emolecules | 1.606381365 | |
Mol314 | 49176076 | Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1 | emolecules | 1.414304688 | |
Mol315 | 43267241 | O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1 | emolecules | 1.580069223 | |
Mol316 | 171722381 | COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21 | emolecules | 1.727785174 | |
Mol317 | 171722393 | CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21 | emolecules | 1.628286731 | |
Mol318 | 204851 | CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 | emolecules | 1.707570176 | |
Mol319 | 46042019 | CCn1nc(C2CCCC2)nc1-c1ccncc1 | emolecules | 1.431363764 | |
Mol320 | 6116584 | O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1 | emolecules | 1.699404082 | |
Mol321 | 324054153 | CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1 | emolecules | 1.885785129 | |
Mol322 | 104336630 | CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1 | emolecules | 1.786254396 | |
Mol323 | 33303639 | COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1 | emolecules | 1.556543708 | |
Mol324 | 1313043 | CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 | emolecules | 1.724521627 | |
Mol325 | 49946968 | Cc1nc(NCc2scnc2C)n(C)n1 | emolecules | 1.442322956 | |
Mol326 | 49992529 | CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 | emolecules | 1.632963168 | |
Mol327 | 31925740 | CCCn1nccc1NC(=O)c1c(C)noc1C | emolecules | 1.498310554 | |
Mol328 | 24055786 | CCc1cc2c(N(C)CCO)ncnc2s1 | emolecules | 1.611404638 | |
Mol329 | 208143 | c1cnc(N2CCC(Cc3ccncc3)CC2)nc1 | emolecules | 1.764176132 | |
Mol330 | 53851976 | Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1 | emolecules | 1.67678503 | |
Mol331 | 44502768 | CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 | emolecules | 1.732876041 | |
Mol332 | 18817053 | CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 | emolecules | 1.643945913 | |
Mol333 | 42960950 | Cc1ccc(CNC/C=C/c2ccccc2)cn1 | emolecules | 1.464191371 | |
Mol334 | EN300-1590205 | CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O | enamineBB_pmc | 1.512150537 | |
Mol335 | 2951118 | CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 | emolecules | 0.949390007 | |
Mol336 | 142671 | CCCNC(=O)C1(Cc2ccccn2)CCOCC1 | emolecules | 1.930745328 | |
Mol337 | 222077 | CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1 | emolecules | 1.321805484 | |
Mol338 | 136967 | CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1 | emolecules | 1.733197265 | |
Mol339 | 165195 | O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1 | emolecules | 0.371067862 | |
Mol340 | 32278040 | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | emolecules | 1.567849451 | |
Mol341 | 44568872 | Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1 | emolecules | 0.727541257 | |
Mol342 | 24997821 | O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12 | emolecules | 0.320146286 | |
Mol343 | 50301971 | CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 | emolecules | 0.06069784 | |
Mol344 | 206931104 | CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1 | emolecules | 0.041392685 | |
Mol345 | 31956373 | O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2 | emolecules | 0.72427587 | |
Mol346 | 3247549 | Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C | emolecules | 1.236537261 | |
Mol347 | 27429921 | Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1 | emolecules | 1.071513805 | |
Mol348 | 16252179 | CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C | emolecules | 0.711807229 | |
Mol349 | 15967580 | Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1 | emolecules | 1.245512668 | |
Mol350 | 1520446 | Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1 | emolecules | 1.058426024 | |
Mol351 | 157315 | Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1 | emolecules | 1.77480883 | |
Mol352 | 3321097 | CCC(CC)NC(=O)c1ccc2ncsc2c1 | emolecules | 1.346548559 | |
Mol353 | 36924312 | O=C1CNC(=O)N1CCCN1CCc2sccc2C1 | emolecules | 1.708930536 | |
Mol354 | 171745752 | CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O | emolecules | 1.710878618 | |
Mol355 | 48305854 | Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1 | emolecules | 1.503109437 | |
Mol356 | 25831601 | COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 | emolecules | 1.319314304 | |
Mol357 | 43033977 | c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1 | emolecules | 1.117271296 | |
Mol358 | 48831256 | Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 | emolecules | 1.704322141 | |
Mol359 | 602991 | CCOc1ccc(-c2csc(N)n2)cc1 | emolecules | 0.8162413 | |
Mol360 | 152525 | CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1 | emolecules | 0.322219295 | |
Mol361 | 49150113 | CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1 | emolecules | 0.582063363 | |
Mol362 | 31940641 | N#Cc1ccc(OCCn2cccn2)cc1 | emolecules | 1.600210306 | |
Mol363 | 36465433 | OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1 | emolecules | 1.147367108 | |
Mol364 | 49328626 | CC(C)CC(=O)Nc1cccnc1N(C)C | emolecules | 1.481299273 | |
Mol365 | 43079475 | Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1 | emolecules | 1.606381365 | |
Mol366 | 29686205 | CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12 | emolecules | 1.628491105 | |
Mol367 | 32071082 | Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1 | emolecules | 1.4407517 | |
Mol368 | 36325996 | Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1 | emolecules | 1.44963265 | |
Mol369 | 30434191 | COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 | emolecules | 1.793930007 | |
Mol370 | 36356102 | CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2 | emolecules | 1.735199548 | |
Mol371 | 36310332 | Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1 | emolecules | 1.80140371 | |
Mol372 | 14004708 | c1ccc(-n2cc(CNc3ncccn3)cn2)cc1 | emolecules | 1.613947477 | |
Mol373 | 15279096 | Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1 | emolecules | 0.037426498 | |
Mol374 | 42924873 | O=C(NCCCn1ccnc1)N1CCC12CCC2 | emolecules | 1.614053106 | |
Mol375 | 323264 | Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1 | emolecules | 1.785685668 | |
Mol376 | 49168678 | COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1 | emolecules | 1.532372134 | |
Mol377 | 56769871 | O=C(NCc1nnc2c(O)nccn12)C1CCCC1 | emolecules | 1.621591676 | |
Mol378 | 32441825 | CN(C)C(=O)COc1ccc(N)c(F)c1 | emolecules | 1.641474111 | |
Mol379 | 32441961 | COc1ccc(Br)c(-c2nnc(N)o2)c1 | emolecules | 1.393926007 | |
Mol380 | 49165262 | CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C | emolecules | 1.491501766 | |
Mol381 | 48437054 | Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12 | emolecules | 1.652826303 | |
Mol382 | 217047 | Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1 | emolecules | 1.452859336 | |
Mol383 | 49640518 | Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1 | emolecules | 1.626443025 | |
Mol384 | 145071 | COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C | emolecules | 1.842921121 | |
Mol385 | 25633058 | CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1 | emolecules | 1.691965103 | |
Mol386 | 36467131 | CCOc1ccc(-c2ccccc2NC(=O)COC)cc1 | emolecules | 1.571242851 | |
Mol387 | 45676719 | Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1 | emolecules | 1.562292864 | |
Mol388 | 36946295 | CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1 | emolecules | 0.948412966 | |
Mol389 | 29569223 | Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1 | emolecules | 1.555698895 | |
Mol390 | 3563624 | FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1 | emolecules | 0.06069784 | |
Mol391 | 49336073 | CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 | emolecules | 1.411619706 | |
Mol392 | 49297123 | Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1 | emolecules | 1.557867962 | |
Mol393 | 1527152 | Cn1c(-c2ccccc2)cnc1NCc1ccccc1 | emolecules | 1.442793226 | |
Mol394 | 3506779 | Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1 | emolecules | 1.717004407 | |
Mol395 | 193785 | COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2 | emolecules | 1.360025089 | |
Mol396 | 44566730 | CCc1nnnn1Cc1noc2c1CCCC2 | emolecules | 1.366236124 | |
Mol397 | 49144758 | CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1 | emolecules | 1.380934463 | |
Mol398 | 36466247 | CCOc1ncccc1-c1cc(Cl)ccc1O | emolecules | 1.356025857 | |
Mol399 | 46075643 | Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1 | emolecules | 1.710117365 | |
Mol400 | 43251541 | Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1 | emolecules | 1.958563883 | |
Mol401 | 197317 | CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21 | emolecules | 1.693726949 | |
Mol402 | 36987134 | CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1 | emolecules | 1.837272703 | |
Mol403 | LN01297365 | CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1 | labnetworkBB | 1.691965103 | |
Mol404 | 31928328 | Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1 | emolecules | 1.576226137 | |
Mol405 | 25614421 | CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N | emolecules | 1.311753861 | |
Mol406 | 36931863 | COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2 | emolecules | 1.13481437 | |
Mol407 | 1533629 | COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | emolecules | 1.693199145 | |
Mol408 | 32136137 | COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1 | emolecules | 1.775974331 | |
Mol409 | 43397821 | Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 | emolecules | 1.586699802 | |
Mol410 | 30713459 | CC(C)CC(=O)NCC(=O)N1CCCC1 | emolecules | 1.788945727 | |
Mol411 | 36675639 | Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C | emolecules | 1.494711025 | |
Mol412 | LN01303428 | Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 | labnetworkBB | 0.11058971 | |
Mol413 | 31612429 | Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1 | emolecules | 1.349277527 | |
Mol414 | 313516112 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | emolecules | 1.955976222 | |
Mol415 | 12602676 | Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1 | emolecules | 1.483587297 | |
Mol416 | 24465856 | O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 | emolecules | 0.380211242 | |
Mol417 | 43423841 | CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1 | emolecules | 1.64246452 | |
Mol418 | 139895 | NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1 | emolecules | 1.922984816 | |
Mol419 | 25000139 | CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1 | emolecules | 1.749968084 | |
Mol420 | 25000719 | CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1 | emolecules | 1.008174184 | |
Mol421 | 214735 | Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1 | emolecules | 1.853819846 | |
Mol422 | 25831727 | COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 | emolecules | 0.357934847 | |
Mol423 | 31901754 | Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1 | emolecules | 1.719828286 | |
Mol424 | 49992227 | Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1 | emolecules | 1.792251572 | |
Mol425 | 18822495 | O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12 | emolecules | 1.655138435 | |
Mol426 | 31858299 | CCc1ccccc1NC(=O)Cn1nc(C)cc1C | emolecules | 1.645618738 | |
Mol427 | 1422270 | O=C(Cc1ccc(Cl)cc1)NCc1ccncc1 | emolecules | 1.712733859 | |
Mol428 | 104707925 | CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21 | emolecules | 1.288025535 | |
Mol429 | 24142070 | O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2 | emolecules | 1.669037801 | |
Mol430 | 49304907 | Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O | emolecules | 1.894924977 | |
Mol431 | 30748239 | Cc1cccnc1NC(=O)CCn1cnc2ccccc21 | emolecules | 1.682145076 | |
Mol432 | 35743833 | CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1 | emolecules | 1.197004728 | |
Mol433 | 36648529 | CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1 | emolecules | 1.569958818 | |
Mol434 | 24888190 | O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1 | emolecules | 1.767823498 | |
Mol435 | 11654209 | Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1 | emolecules | 1.797475288 | |
Mol436 | 29377737 | Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1 | emolecules | 1.635282638 | |
Mol437 | 73008556 | CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1 | emolecules | 1.880470593 | |
Mol438 | 44563083 | COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 | emolecules | 1.770115295 | |
Mol439 | 32278042 | CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC | emolecules | 1.759667845 | |
Mol440 | 49883411 | COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1 | emolecules | 1.841422044 | |
Mol441 | 1556723 | Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1 | emolecules | 1.343408594 | |
Mol442 | 48210000 | CCN1CCC(Nc2ncnc3c2cnn3C)CC1 | emolecules | 1.511482289 | |
Mol443 | 36950801 | CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O | emolecules | 1.704150517 | |
Mol444 | 32272128 | Cc1nccn1CCNC(=O)C(C)(C)C | emolecules | 1.418135498 | |
Mol445 | 3409017 | O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1 | emolecules | 0.985426474 | |
Mol446 | 36950373 | CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1 | emolecules | 1.839540893 | |
Mol447 | 43389174 | CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1 | emolecules | 1.728191399 | |
Mol448 | 31929988 | COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1 | emolecules | 1.702861171 | |
Mol449 | 4498619 | O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1 | emolecules | 0.689308859 | |
Mol450 | 43127347 | Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21 | emolecules | 0.669316881 | |
Mol451 | 6892467 | COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1 | emolecules | 0.274157849 | |
Mol452 | 31239684 | O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1 | emolecules | 1.33825723 | |
Mol453 | 36673851 | CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 | emolecules | 1.722551662 | |
Mol454 | 44527032 | O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21 | emolecules | 0.318063335 | |
Mol455 | 32125849 | Cn1ccnc1CCNC(=O)c1cccc2cccnc12 | emolecules | 1.618257345 | |
Mol456 | 299971700 | COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 | emolecules | 1.733036683 | |
Mol457 | 36262171 | Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21 | emolecules | 1.733999287 | |
Mol458 | 32018884 | Nc1nc2ccccc2n1CCCc1ccccc1 | emolecules | 1.434568904 | |
Mol459 | 3434817 | Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1 | emolecules | 0.786751422 | |
Mol460 | 44505466 | CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1 | emolecules | 1.730701544 | |
Mol461 | 32149349 | O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1 | emolecules | 1.750199728 | |
Mol462 | 24970980 | CC(C)CN(c1ncnc2c1cnn2C)C1CC1 | emolecules | 1.470851325 | |
Mol463 | 150507 | O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 | emolecules | 0.653212514 | |
Mol464 | 44424625 | Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1 | emolecules | 1.566201719 | |
Mol465 | 48430874 | CCc1cc(NCc2cccc(OCCOC)c2)ncn1 | emolecules | 1.691258358 | |
Mol466 | 35772359 | Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1 | emolecules | 1.642365581 | |
Mol467 | 43648627 | Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21 | emolecules | 1.690993032 | |
Mol468 | 36358730 | CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 | emolecules | 2.052617001 | |
Mol469 | 314102886 | CCOC(=O)CNC(=O)c1ccc(O)cc1O | emolecules | 1.559188189 | |
Mol470 | 36931743 | N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1 | emolecules | 1.716587578 | |
Mol471 | 36265861 | N#Cc1cccnc1NCCc1cn2c(n1)CCCC2 | emolecules | 1.719497017 | |
Mol472 | 31878736 | CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1 | emolecules | 1.588831726 | |
Mol473 | 48248900 | O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1 | emolecules | 1.709269961 | |
Mol474 | 11957669 | Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C | emolecules | 1.623145875 | |
Mol475 | 49295738 | Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C | emolecules | 1.672374979 | |
Mol476 | 32402718 | Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1 | emolecules | 1.310905629 | |
Mol477 | 48280740 | CN(CC1(O)CCCC1)c1ncccn1 | emolecules | 1.51308436 | |
Mol478 | 48755148 | CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1 | emolecules | 1.653212514 | |
Mol479 | 25614739 | Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1 | emolecules | 1.23299611 | |
Mol480 | 30016064 | Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12 | emolecules | 1.360214613 | |
Mol481 | 249531 | CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O | emolecules | 1.741466762 | |
Mol482 | 114695027 | Clc1ccc(NCc2ccoc2)nn1 | emolecules | 1.331629718 | |
Mol483 | 48355585 | CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 | emolecules | 1.57818061 | |
Mol484 | 93428812 | CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 | emolecules | 1.227115083 | |
Mol485 | 43657158 | CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1 | emolecules | 1.754806855 | |
Mol486 | 43659306 | CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1 | emolecules | 1.743823222 | |
Mol487 | 53751074 | Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O | emolecules | 1.699404082 | |
Mol488 | 31966128 | Cc1nc(Cn2ncc3ccccc3c2=O)cs1 | emolecules | 1.653887558 | |
Mol489 | 48759010 | Cc1ncccc1CNc1nnc(C(C)(C)C)s1 | emolecules | 1.612041745 | |
Mol490 | 36343702 | Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2 | emolecules | 1.668385917 | |
Mol491 | 1321458 | COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1 | emolecules | 1.463146137 | |
Mol492 | 49975856 | Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1 | emolecules | 1.501470072 | |
Mol493 | 306342 | O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4 | emolecules | 0.982271233 | |
Mol494 | 13523780 | Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1 | emolecules | 0.113943352 | |
Mol495 | 56766469 | CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1 | emolecules | 1.600537294 | |
Mol496 | 207921 | Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1 | emolecules | 1.704922291 | |
Mol497 | 36421752 | COc1ccc(-c2c(C)n[nH]c2C)cn1 | emolecules | 1.167612673 | |
Mol498 | 429280 | CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1 | emolecules | 1.691081492 | |
Mol499 | 189882719 | O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2 | emolecules | 0.33243846 | |
Mol500 | 6887028 | Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1 | emolecules | 0.800717078 | |
Mol501 | 43070449 | CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12 | emolecules | 1.513883186 | |
Mol502 | 42961078 | Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1 | emolecules | 1.353916231 | |
Mol503 | 43104263 | CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1 | emolecules | 1.594171479 | |
Mol504 | 301229871 | CC(C)(C)CC(=O)N1CCC(OCCCN)CC1 | emolecules | 1.70457945 | |
Mol505 | 48745653 | CC(C)NC(=O)Cn1nnnc1C(C)(C)C | emolecules | 1.366982976 | |
Mol506 | 49165848 | CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C | emolecules | 1.458335626 | |
Mol507 | 16744002 | CCONC(=O)c1cncn1-c1ccc(F)cc1 | emolecules | 1.681693392 | |
Mol508 | 30426285 | O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21 | emolecules | 0.212187604 | |
Mol509 | 1300953 | Cc1ccccc1OCCn1c(N)nc2ccccc21 | emolecules | 1.608632989 | |
Mol510 | 152939 | Cc1cccc(OC2CCN(CC(N)=O)CC2)c1 | emolecules | 1.897517129 | |
Mol511 | 36701026 | Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1 | emolecules | 1.437750563 | |
Mol512 | 32435950 | COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C | emolecules | 1.539703239 | |
Mol513 | 49679970 | CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1 | emolecules | 1.571475904 | |
Mol514 | 3593598 | O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 | emolecules | 1.543074235 | |
Mol515 | 32014834 | O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2 | emolecules | 1.597695186 | |
Mol516 | 43195213 | CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1 | emolecules | 1.607776604 | |
Mol517 | 3301360 | COc1ccc(Nc2ncnc3sccc23)c(OC)c1 | emolecules | 1.60346916 | |
Mol518 | 23971521 | Cc1cccc(C(=O)NCC#Cc2ccccc2)n1 | emolecules | 1.472463897 | |
Mol519 | 29994713 | CN(CCc1ccccn1)c1cnc2ccccc2n1 | emolecules | 1.648847708 | |
Mol520 | 13397114 | Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1 | emolecules | 1.387567779 | |
Mol521 | 45659871 | O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12 | emolecules | 1.154423973 | |
Mol522 | 25645386 | O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1 | emolecules | 1.591064607 | |
Mol523 | 89942044 | O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F | emolecules | 1.637989781 | |
Mol524 | 141603 | CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1 | emolecules | 2.135927335 | |
Mol525 | 48548511 | Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1 | emolecules | 1.549003262 | |
Mol526 | 30493366 | Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 | emolecules | 1.657055853 | |
Mol527 | 43485719 | O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1 | emolecules | 1.80140371 | |
Mol528 | 227571 | CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N | emolecules | 1.818555779 | |
Mol529 | 104388935 | CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1 | emolecules | 0.67669361 | |
Mol530 | 26754877 | Cc1ccc([C@@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1 | emolecules | 1.726727209 | |
Mol531 | 16664610 | Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1 | emolecules | 0.968482949 | |
Mol532 | 35697150 | O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1 | emolecules | 1.658488381 | |
Mol533 | 50282425 | COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1 | emolecules | 1.975431809 | |
Mol534 | 50282995 | N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1 | emolecules | 1.154423973 | |
Mol535 | 31836142 | Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1 | emolecules | 1.550228353 | |
Mol536 | 45769048 | CN(CCN1CCOC1=O)C(=O)c1cc2cc(Br)ccc2o1 | emolecules | 1.706973676 | |
Mol537 | 89942288 | CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 | emolecules | 0.808885867 | |
Mol538 | 323908 | CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1 | emolecules | 1.836197481 | |
Mol539 | 36680675 | CCSCc1nc(N)c2ccccc2n1 | emolecules | 1.4827307 | |
Mol540 | 184569 | CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1 | emolecules | 1.959851955 | |
Mol541 | 32130309 | O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 | emolecules | 1.756331767 | |
Mol542 | 32148273 | CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1 | emolecules | 1.579669294 | |
Mol543 | 31965105 | Cc1csc(NC(=O)CCc2ccncc2)n1 | emolecules | 1.580924976 | |
Mol544 | 49149133 | CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1 | emolecules | 1.618466492 | |
Mol545 | 33365153 | O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1 | emolecules | 1.019946682 | |
Mol546 | 1195337 | Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 | emolecules | 1.5594278 | |
Mol547 | 32389082 | Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C | emolecules | 0.385606274 | |
Mol548 | 24881110 | COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1 | emolecules | 1.472463897 | |
Mol549 | 2344317 | Fc1ccccc1CN1CCN(c2ncccn2)CC1 | emolecules | 1.558708571 | |
Mol550 | 36925362 | CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1 | emolecules | 1.59736605 | |
Mol551 | 36925778 | O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1 | emolecules | 1.726727209 | |
Mol552 | 25018171 | CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N | emolecules | 1.448087667 | |
Mol553 | 36562566 | CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O | emolecules | 1.62910365 | |
Mol554 | 43375385 | CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21 | emolecules | 1.455453969 | |
Mol555 | 48247754 | Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br | emolecules | 0.309630167 | |
Mol556 | 48286431 | Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1 | emolecules | 1.622524862 | |
Mol557 | 45652159 | Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1 | emolecules | 1.758381942 | |
Mol558 | 2047138 | CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1 | emolecules | 1.753812784 | |
Mol559 | 42961772 | Cc1cccnc1CNc1ccc(C#N)cc1F | emolecules | 1.556181847 | |
Mol560 | 72972996 | CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O | emolecules | 1.578524605 | |
Mol561 | 48784969 | Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 | emolecules | 1.827692289 | |
Mol562 | 11995039 | O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12 | emolecules | 0.785329835 | |
Mol563 | 9760971 | O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1 | emolecules | 1.736953954 | |
Mol564 | 76018455 | C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12 | emolecules | 1.602059991 | |
Mol565 | 36355642 | CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 | emolecules | 1.872447648 | |
Mol566 | 45688619 | COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1 | emolecules | 0.416640507 | |
Mol567 | 48749260 | Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1 | emolecules | 1.660770644 | |
Mol568 | 49146795 | Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1 | emolecules | 1.692318044 | |
Mol569 | 27513231 | Nc1nnc(-c2ccc3c(c2)OCCO3)o1 | emolecules | 1.368658712 | |
Mol570 | 36275216 | N#CCCCN1CCN(c2cc(C#N)ccn2)CC1 | emolecules | 1.615318657 | |
Mol571 | 43133355 | CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2 | emolecules | 1.623662707 | |
Mol572 | 2858011 | CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C | emolecules | 1.743039155 | |
Mol573 | 44436449 | CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21 | emolecules | 1.660201201 | |
Mol574 | 49976422 | Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1 | emolecules | 1.050379756 | |
Mol575 | 30640320 | Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1 | emolecules | 1.765072201 | |
Mol576 | 41949940 | CCc1c(N)cnn1-c1ccccc1C | emolecules | 1.569841899 | |
Mol577 | 151551 | Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1 | emolecules | 1.426511261 | |
Mol578 | 25642172 | CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F | emolecules | 1.640580806 | |
Mol579 | 29965110 | CNC(=O)CN(C)c1cccc(F)c1C#N | emolecules | 1.532754379 | |
Mol580 | 11652485 | O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1 | emolecules | 1.05804623 | |
Mol581 | 3565214 | CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C | emolecules | 1.271609301 | |
Mol582 | 49065818 | Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1 | emolecules | 1.477555332 | |
Mol583 | 540123 | COc1cc2nc(N)sc2cc1OC | emolecules | 1.513483957 | |
Mol584 | 338392 | CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1 | emolecules | 0.84135947 | |
Mol585 | 49667242 | COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F | emolecules | 1.851441815 | |
Mol586 | 2343133 | Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 | emolecules | 0.342422681 | |
Mol587 | 157723 | CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 | emolecules | 1.759743368 | |
Mol588 | 36944203 | Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C | emolecules | 1.740046724 | |
Mol589 | 1934410 | Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1 | emolecules | 0.51851394 | |
Mol590 | 16784498 | COc1cccc(-c2nc(C(=O)O)cs2)c1OC | emolecules | 1.576571684 | |
Mol591 | 193781 | COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2 | emolecules | 1.358886204 | |
Mol592 | 49966402 | Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1 | emolecules | 1.713574538 | |
Mol593 | 278832 | O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1 | emolecules | 1.547774705 | |
Mol594 | 1317203 | COc1ccc(OCC(=O)N2CCN(C)CC2)cc1 | emolecules | 1.72057272 | |
Mol595 | 44498594 | CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 | emolecules | 1.790707287 | |
Mol596 | 1412632 | Cc1cc(NC(=O)c2cccs2)no1 | emolecules | 1.500099192 | |
Mol597 | 44585808 | Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1 | emolecules | 1.727053011 | |
Mol598 | 48747142 | COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C | emolecules | 1.485721426 | |
Mol599 | 17074467 | CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12 | emolecules | 1.123851641 | |
Mol600 | 35682807 | Cc1cc(C(=O)N(C)Cc2ccsc2)no1 | emolecules | 1.533009023 | |
Mol601 | 165629 | OCCN1CCC(c2ccncn2)CC1 | emolecules | 1.573103783 | |
Mol602 | 48248496 | CN(c1ncc(Br)cn1)C1CCS(=O)CC1 | emolecules | 1.882638362 | |
Mol603 | 49968176 | CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F | emolecules | 1.542825427 | |
Mol604 | 49336129 | COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 | emolecules | 1.452553063 | |
Mol605 | 24032918 | O=C(NCc1cc(F)cc(F)c1)c1ccccn1 | emolecules | 1.637189422 | |
Mol606 | 23832549 | CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1 | emolecules | 1.624282096 | |
Mol607 | 23998049 | O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1 | emolecules | 0.559906625 | |
Mol608 | 36662662 | Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1 | emolecules | 1.703205371 | |
Mol609 | 32437102 | COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC | emolecules | 1.396722279 | |
Mol610 | 36332254 | Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1 | emolecules | 1.784831178 | |
Mol611 | 197199 | COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12 | emolecules | 1.739176632 | |
Mol612 | 36646466 | Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3 | emolecules | 1.750199728 | |
Mol613 | 49307701 | Clc1cc2ncc(-n3ccnc3)nc2cc1Cl | emolecules | 0.471291711 | |
Mol614 | 49936164 | CN(Cc1ccncc1)Cc1cc2ccccc2nc1O | emolecules | 1.686546899 | |
Mol615 | 18898062 | CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12 | emolecules | 1.65829765 | |
Mol616 | 36286506 | CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 | emolecules | 1.59505509 | |
Mol617 | 35724598 | CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2 | emolecules | 1.843232778 | |
Mol618 | 75983310 | CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2 | emolecules | 1.783903579 | |
Mol619 | 25587599 | COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1 | emolecules | 1.355259906 | |
Mol620 | 31845178 | CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1 | emolecules | 1.679064318 | |
Mol621 | 36342840 | N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1 | emolecules | 1.658202253 | |
Mol622 | 48747071 | O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1 | emolecules | 1.542576476 | |
Mol623 | 32126735 | N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1 | emolecules | 1.615739689 | |
Mol624 | 32172391 | CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1 | emolecules | 1.716587578 | |
Mol625 | 24128634 | O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1 | emolecules | 1.583198774 | |
Mol626 | 31981950 | CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1 | emolecules | 1.73239376 | |
Mol627 | 31842542 | CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 | emolecules | 1.421932813 | |
Mol628 | 49314549 | CN(Cc1cccnc1)Cc1ccc(C#N)o1 | emolecules | 1.487138375 | |
Mol629 | 31507670 | Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1 | emolecules | 0.322219295 | |
Mol630 | 49972454 | Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1 | emolecules | 1.61415871 | |
Mol631 | 1734240 | CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 | emolecules | 1.545925329 | |
Mol632 | 49949882 | Cc1ccc(F)cc1CNc1cc(C(=O)N(C)C)ccn1 | emolecules | 1.676053125 | |
Mol633 | 49148845 | COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1 | emolecules | 1.330819467 | |
Mol634 | 46036273 | Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21 | emolecules | 1.283301229 | |
Mol635 | 49937270 | CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C | emolecules | 1.714664993 | |
Mol636 | 43124325 | CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C | emolecules | 1.864511081 | |
Mol637 | 31412367 | Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12 | emolecules | 1.709354776 | |
Mol638 | 44583632 | CCc1nc(CC)n(Cc2nc(C)cs2)n1 | emolecules | 1.554731377 | |
Mol639 | 46091137 | OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1 | emolecules | 1.538322333 | |
Mol640 | 32065468 | CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1 | emolecules | 1.705007959 | |
Mol641 | 30745331 | Cc1nc(CC(=O)NCc2ccccc2)cs1 | emolecules | 1.414973348 | |
Mol642 | 11835068 | O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1 | emolecules | 1.217483944 | |
Mol643 | 222721 | CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1 | emolecules | 1.79719827 | |
Mol644 | 1539152 | COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 | emolecules | 1.813647695 | |
Mol645 | 301065487 | CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1 | emolecules | 1.7513561 | |
Mol646 | 50377896 | CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 | emolecules | 1.564666064 | |
Mol647 | 6630813 | Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1 | emolecules | 1.47957531 | |
Mol648 | 36659962 | COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1 | emolecules | 1.766189693 | |
Mol649 | 44587026 | O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I | emolecules | 1.786609473 | |
Mol650 | 36622590 | CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 | emolecules | 1.63748973 | |
Mol651 | 45764946 | CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21 | emolecules | 1.675503385 | |
Mol652 | 45639971 | O=C(COCC1CC1)N1CCCc2ncccc21 | emolecules | 1.53032779 | |
Mol653 | 18815715 | O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1 | emolecules | 1.850033258 | |
Mol654 | 4758327 | O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1 | emolecules | 1.575649615 | |
Mol655 | 32099814 | O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2 | emolecules | 1.495127881 | |
Mol656 | 43370641 | COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O | emolecules | 1.892150278 | |
Mol657 | 50310131 | COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1 | emolecules | 0.447158031 | |
Mol658 | 12013114 | CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2 | emolecules | 1.705007959 | |
Mol659 | 49149249 | Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1 | emolecules | 1.427161403 | |
Mol660 | 36662966 | CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1 | emolecules | 1.704665185 | |
Mol661 | 1553084 | O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1 | emolecules | 1.801815169 | |
Mol662 | 49144354 | Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1 | emolecules | 1.431363764 | |
Mol663 | 25610913 | COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C | emolecules | 1.360025089 | |
Mol664 | 9657617 | COCC(=O)Nc1nc(C)c(C)s1 | emolecules | 1.408579125 | |
Mol665 | 1464553 | Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 | emolecules | 0.748188027 | |
Mol666 | 31895184 | CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1 | emolecules | 1.680969718 | |
Mol667 | 49946976 | Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1 | emolecules | 1.640878779 | |
Mol668 | 50127813 | O=C(NCc1cccc(F)c1)c1[nH]nnc1-c1ccccc1 | emolecules | 1.321184027 | |
Mol669 | 36318534 | Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21 | emolecules | 1.62838893 | |
Mol670 | 44507875 | c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1 | emolecules | 1.637589786 | |
Mol671 | 31881571 | CCCC(=O)Nc1ccc(-n2cccn2)nc1 | emolecules | 1.655426588 | |
Mol672 | 201887 | CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1 | emolecules | 1.73239376 | |
Mol673 | 18915110 | Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1 | emolecules | 0.367355921 | |
Mol674 | 208609 | CC(=O)N1CCC(c2ccccn2)CC1 | emolecules | 1.684126926 | |
Mol675 | 30231738 | O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1 | emolecules | 1.033423755 | |
Mol676 | 33339330 | Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1 | emolecules | 1.304490528 | |
Mol677 | 45736550 | Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1 | emolecules | 1.480006943 | |
Mol678 | 150193 | O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 | emolecules | 1.738384124 | |
Mol679 | 1527130 | COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1 | emolecules | 1.37051309 | |
Mol680 | 168323 | O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 | emolecules | 1.817895757 | |
Mol681 | 25831315 | Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1 | emolecules | 1.617105231 | |
Mol682 | 48549025 | O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1 | emolecules | 1.716837723 | |
Mol683 | 46061355 | CCc1ccccc1-c1cn(CCc2cnccn2)nn1 | emolecules | 1.441695136 | |
Mol684 | 31836416 | O=C(NCc1ccc(F)cc1)c1ccccn1 | emolecules | 1.541828767 | |
Mol685 | 32444473 | CN1CCN(CCOc2ccccc2N)CC1 | emolecules | 1.580810973 | |
Mol686 | 23995487 | Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1 | emolecules | 1.65724713 | |
Mol687 | 149593 | CNC(=O)CC1CCN(c2ncccn2)CC1 | emolecules | 1.698970004 | |
Mol688 | 27369500 | Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1 | emolecules | 1.5132176 | |
Mol689 | 49176426 | CCCn1ncnc1-c1ccccc1SC | emolecules | 1.29841638 | |
Mol690 | 31879758 | O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1 | emolecules | 1.507720977 | |
Mol691 | 32077202 | Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1 | emolecules | 1.842297134 | |
Mol692 | 32135801 | CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 | emolecules | 1.361538971 | |
Mol693 | 23829815 | O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1 | emolecules | 1.735439203 | |
Mol694 | 485897 | O=C(O)CCn1c2ccccc2c2ccccc21 | emolecules | 1.716086854 | |
Mol695 | 300136806 | O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1 | emolecules | 1.704150517 | |
Mol696 | 30173146 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | emolecules | 0.95616843 | |
Mol697 | 32042968 | c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2 | emolecules | 1.399500661 | |
Mol698 | 14858512 | N#Cc1cccnc1NCCc1ccc(F)cc1 | emolecules | 0.42975228 | |
Mol699 | 36260547 | N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1 | emolecules | 1.737033531 | |
Mol700 | 134995 | CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21 | emolecules | 1.894316063 | |
Mol701 | 33340599 | Cc1nn(C)c(C)c1C(=O)NCc1ccccc1 | emolecules | 1.738066715 | |
Mol702 | 43670748 | CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 | emolecules | 1.666892211 | |
Mol703 | 3566966 | Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1 | emolecules | 1.363799945 | |
Mol704 | 49863653 | C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2 | emolecules | 1.864511081 | |
Mol705 | 53870877 | Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O | emolecules | 1.681060244 | |
Mol706 | Z102329238 | Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21 | enamineHTS | 1.002166062 | |
Mol707 | 49159718 | CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1 | emolecules | 1.486005186 | |
Mol708 | 31600959 | Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1 | emolecules | 1.632760888 | |
Mol709 | 42901988 | CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12 | emolecules | 1.557988148 | |
Mol710 | 29972621 | O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1 | emolecules | 0.991226076 | |
Mol711 | 49953664 | COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1 | emolecules | 1.288472801 | |
Mol712 | 2353222 | Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 | emolecules | 1.42975228 | |
Mol713 | 153321 | c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1 | emolecules | 1.450249108 | |
Mol714 | 158151 | Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1 | emolecules | 1.667452953 | |
Mol715 | 49644632 | O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1 | emolecules | 1.643650038 | |
Mol716 | 35774799 | c1ccc(-c2noc(NCC3CCC3)n2)cc1 | emolecules | 1.540079089 | |
Mol717 | 32161047 | c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1 | emolecules | 0.792741786 | |
Mol718 | 379670 | CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1 | emolecules | 1.326540669 | |
Mol719 | 30455813 | COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1 | emolecules | 1.979775933 | |
Mol720 | 18867454 | COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl | emolecules | 1.481442629 | |
Mol721 | 32005722 | O=C1NCCCCC1NC(=O)N1CCc2sccc2C1 | emolecules | 1.695481676 | |
Mol722 | 4847598 | O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1 | emolecules | 1.627365857 | |
Mol723 | 233395 | Cn1ccc(CN2CCC(c3cnccn3)CC2)n1 | emolecules | 1.698970004 | |
Mol724 | 36703704 | Cc1nccn1-c1ccc(F)cc1CNC(=O)C(C)C | emolecules | 1.773420723 | |
Mol725 | 15274760 | O=C(CN1CCSC1=O)Nc1ccccc1F | emolecules | 1.500236475 | |
Mol726 | 1311623 | COc1ccc(CNCc2cccc3ccccc23)cc1 | emolecules | 1.673941999 | |
Mol727 | 6809286 | O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 | emolecules | 0.195899652 | |
Mol728 | 49920814 | Cc1noc(NCc2cccc(-c3cccnc3)c2)n1 | emolecules | 1.539327064 | |
Mol729 | 43179665 | CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1 | emolecules | 1.456821348 | |
Mol730 | 36311460 | Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1 | emolecules | 1.73239376 | |
Mol731 | 36915937 | O=C(CCNc1ncccn1)N1CCc2ccccc2C1 | emolecules | 1.545059585 | |
Mol732 | 29659409 | CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1 | emolecules | 1.507180977 | |
Mol733 | 32444518 | Nc1cnc(Cc2ccc(F)cc2)nc1 | emolecules | 1.582404298 | |
Mol734 | 25739431 | Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1 | emolecules | 1.209515015 | |
Mol735 | 18861554 | Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1 | emolecules | 1.627570664 | |
Mol736 | 44435341 | O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1 | emolecules | 1.692053365 | |
Mol737 | 45670665 | Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C | emolecules | 1.624488363 | |
Mol738 | 35715808 | CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1 | emolecules | 1.73295637 | |
Mol739 | 31882595 | CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 | emolecules | 1.83193373 | |
Mol740 | 46650374 | Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1 | emolecules | 1.573683693 | |
Mol741 | 44492208 | CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3 | emolecules | 1.705692697 | |
Mol742 | 3669743 | CCc1nnc(NC(=O)Cc2c(C)noc2C)s1 | emolecules | 1.649237472 | |
Mol743 | 48337566 | CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1 | emolecules | 1.636588184 | |
Mol744 | 49944058 | CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1 | emolecules | 1.433289685 | |
Mol745 | 53817229 | Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1 | emolecules | 0.505149978 | |
Mol746 | 48752280 | O=C1CCC(=O)N1CCN1CCCCc2ccccc21 | emolecules | 1.746244872 | |
Mol747 | 17480068 | O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21 | emolecules | 0.615950052 | |
Mol748 | 53880265 | O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 | emolecules | 1.232487866 | |
Mol749 | 53880275 | O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 | emolecules | 1.749117662 | |
Mol750 | 32220944 | CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1 | emolecules | 1.599883072 | |
Mol751 | 48355573 | CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 | emolecules | 1.397940009 | |
Mol752 | 3389897 | O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2 | emolecules | 0.831229694 | |
Mol753 | 37038179 | CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1 | emolecules | 1.653694795 | |
Mol754 | 2521907 | O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1 | emolecules | 1.552424846 | |
Mol755 | 44582746 | O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1 | emolecules | 1.478422188 | |
Mol756 | 32007466 | Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1 | emolecules | 1.598899887 | |
Mol757 | 48825778 | CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 | emolecules | 1.754348336 | |
Mol758 | 35741477 | O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1 | emolecules | 1.493876111 | |
Mol759 | 152925 | NC(=O)CN1CCC(Oc2cccc(F)c2)CC1 | emolecules | 1.783975003 | |
Mol760 | 31873876 | O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1 | emolecules | 1.556543708 | |
Mol761 | 183407 | COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1 | emolecules | 1.790918195 | |
Mol762 | 153307 | CCn1c(SC)nnc1C1CCN(C)CC1 | emolecules | 1.615107987 | |
Mol763 | 35720088 | CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1 | emolecules | 1.746244872 | |
Mol764 | 227979416 | CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1 | emolecules | 1.447158031 | |
Mol765 | 31325002 | Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 | emolecules | 1.646403726 | |
Mol766 | 31397498 | O=C(Nc1ccccc1-n1ccnc1)c1cccs1 | emolecules | 1.887673552 | |
Mol767 | 408502 | Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2 | emolecules | 1.472756449 | |
Mol768 | 25724657 | CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1 | emolecules | 1.709269961 | |
Mol769 | 48313236 | Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1 | emolecules | 1.828208614 | |
Mol770 | 36997483 | COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC | emolecules | 1.729002709 | |
Mol771 | 15211082 | CCN(C(C)=O)c1ccc(C)cc1C(=O)O | emolecules | 1.542825427 | |
Mol772 | 36698232 | CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2 | emolecules | 1.542576476 | |
Mol773 | 45748055 | CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12 | emolecules | 1.498723971 | |
Mol774 | 313516885 | CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12 | emolecules | 1.727785174 | |
Mol775 | 50283258 | O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1 | emolecules | 1.603144373 | |
Mol776 | 43141052 | N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1 | emolecules | 1.473048805 | |
Mol777 | 42957976 | Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1 | emolecules | 1.428458774 | |
Mol778 | MCULE-7051565077 | COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1 | mcule | 1.784331948 | |
Mol779 | 30191309 | Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1 | emolecules | 1.704750904 | |
Mol780 | 23825625 | CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21 | emolecules | 1.526468512 | |
Mol781 | 3664558 | CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 | emolecules | 1.508529719 | |
Mol782 | 413444 | OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 | emolecules | 1.680063427 | |
Mol783 | 50568787 | CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1 | emolecules | 1.661812686 | |
Mol784 | 231817334 | CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1 | emolecules | 0.952792443 | |
Mol785 | 49954298 | CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O | emolecules | 1.802157753 | |
Mol786 | 48820442 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1 | emolecules | 1.491501766 | |
Mol787 | 30708810 | Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C | emolecules | 1.564666064 | |
Mol788 | 30708674 | CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1 | emolecules | 0.414973348 | |
Mol789 | 30742732 | Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1 | emolecules | 1.574031268 | |
Mol790 | 53755274 | Cc1cccn(Cc2cccc(C#N)c2)c1=O | emolecules | 1.489958479 | |
Mol791 | 95558121 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 | emolecules | 1.791339704 | |
Mol792 | 46223729 | Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1 | emolecules | 1.778440684 | |
Mol793 | 194321 | CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 | emolecules | 1.464936429 | |
Mol794 | 36356108 | CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1 | emolecules | 1.751086555 | |
Mol795 | 30197060 | CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1 | emolecules | 1.733438027 | |
Mol796 | 50334305 | Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C | emolecules | 1.784617293 | |
Mol797 | 48257681 | Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1 | emolecules | 1.686636269 | |
Mol798 | 44416332 | O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12 | emolecules | 1.230448921 | |
Mol799 | 32061442 | O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O | emolecules | 1.823474229 | |
Mol800 | 3962718 | O=C(Nc1nncs1)c1cccnc1 | emolecules | 1.646599752 | |
Mol801 | 301025873 | CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12 | emolecules | 1.532244644 | |
Mol802 | 48831006 | Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2 | emolecules | 1.507720977 | |
Mol803 | 49148489 | Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1 | emolecules | 1.545430829 | |
Mol804 | 147149 | Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O | emolecules | 1.846027675 | |
Mol805 | 36994254 | O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1 | emolecules | 0.944482672 | |
Mol806 | 45762658 | CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3 | emolecules | 1.666892211 | |
Mol807 | 30000529 | CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F | emolecules | 1.634174872 | |
Mol808 | 902539 | CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12 | emolecules | 1.479143248 | |
Mol809 | 32394390 | COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1 | emolecules | 1.452553063 | |
Mol810 | 48421225 | Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21 | emolecules | 1.752509401 | |
Mol811 | 30693076 | O=C(NC1CC1)c1cccnc1Oc1ccccc1 | emolecules | 1.814513952 | |
Mol812 | 42964208 | N#Cc1ccc(CN2CC(n3cccn3)C2)cc1 | emolecules | 1.562768543 | |
Mol813 | 50894425 | NC(=O)Cn1ccc(-c2ccccc2)n1 | emolecules | 1.607347777 | |
Mol814 | 312296 | COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1 | emolecules | 0.567026366 | |
Mol815 | 11963582 | Cc1cccc(NC(=O)c2cccc3ncccc23)c1 | emolecules | 0.685741739 | |
Mol816 | 250939 | CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O | emolecules | 2.061452479 | |
Mol817 | 300055299 | O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12 | emolecules | 1.404149249 | |
Mol818 | 73020372 | COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1 | emolecules | 1.732634968 | |
Mol819 | 49945934 | Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1 | emolecules | 1.352375495 | |
Mol820 | 49968150 | Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1 | emolecules | 1.461498527 | |
Mol821 | 33324451 | O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1 | emolecules | 1.533263517 | |
Mol822 | 42885549 | CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1 | emolecules | 1.263636069 | |
Mol823 | 25649639 | COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1 | emolecules | 0.924279286 | |
Mol824 | 43081907 | Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1 | emolecules | 1.389520466 | |
Mol825 | 24958639 | Cn1cnnc1CNc1ccccc1C#N | emolecules | 1.526726867 | |
Mol826 | 23673158 | O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1 | emolecules | 1.63447727 | |
Mol827 | 9879245 | COc1ccc(NC(=O)c2snnc2C)c(OC)c1 | emolecules | 0.564666064 | |
Mol828 | Z1411035575 | Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1 | enamineHTS | 1.654080235 | |
Mol829 | 32015702 | CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 | emolecules | 1.830267801 | |
Mol830 | 152135 | O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1 | emolecules | 0.161368002 | |
Mol831 | 48597409 | CN(C)c1ncn(-c2cccc(N)c2)n1 | emolecules | 1.343605508 | |
Mol832 | 901477 | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 | emolecules | 1.221414238 | |
Mol833 | 32146223 | c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1 | emolecules | 0.618048097 | |
Mol834 | 140213 | C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1 | emolecules | 0.602059991 | |
Mol835 | 49169918 | Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1 | emolecules | 1.461348434 | |
Mol836 | 30493672 | COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 | emolecules | 1.722140125 | |
Mol837 | 49965014 | CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1 | emolecules | 1.691435152 | |
Mol838 | 7723164 | Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1 | emolecules | 0.068185862 | |
Mol839 | 48880634 | c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1 | emolecules | 0.57054294 | |
Mol840 | 33361007 | O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1 | emolecules | 1.626032248 | |
Mol841 | 31981926 | CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 | emolecules | 1.665580991 | |
Mol842 | 32009682 | Cn1cc(CCNC(=O)N2CCc3sccc3C2)cn1 | emolecules | 1.601516784 | |
Mol843 | 147155 | Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F | emolecules | 0.50242712 | |
Mol844 | 44529882 | COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | emolecules | 1.853576544 | |
Mol845 | 36909737 | Cc1cccc(Oc2cc(CN)ccn2)c1C | emolecules | 1.478566496 | |
Mol846 | 300636138 | CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 | emolecules | 0.785329835 | |
Mol847 | 13484208 | Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C | emolecules | 1.736715134 | |
Mol848 | 33308690 | CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2 | emolecules | 1.412292509 | |
Mol849 | 43249211 | O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1 | emolecules | 1.588383768 | |
Mol850 | 17159117 | COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1 | emolecules | 1.718833718 | |
Mol851 | 49955148 | Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1 | emolecules | 1.665956029 | |
Mol852 | 46093681 | CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1 | emolecules | 1.230704314 | |
Mol853 | 13419387 | Cc1sc2nc(CN3CCCC3)nc(N)c2c1C | emolecules | 1.649821463 | |
Mol854 | 36356120 | CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2 | emolecules | 1.72794771 | |
Mol855 | 2972727 | Cc1nn(CCC#N)c(C)c1Oc1ccccc1O | emolecules | 1.564547712 | |
Mol856 | 32130663 | OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1 | emolecules | 1.399154334 | |
Mol857 | 31341176 | Cc1cc(C(=O)NCCc2ccccn2)c(C)s1 | emolecules | 1.613630435 | |
Mol858 | 5799127 | Nc1ccc(Oc2ccccc2F)nc1 | emolecules | 1.408070286 | |
Mol859 | 30446887 | Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 | emolecules | 1.78724788 | |
Mol860 | 43664822 | Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12 | emolecules | 1.633165354 | |
Mol861 | 43140484 | CCOC(=O)c1cccnc1-c1cccc2ccnn12 | emolecules | 1.660675788 | |
Mol862 | 24110376 | COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2 | emolecules | 1.8162413 | |
Mol863 | 24022867 | NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1 | emolecules | 1.0 | |
Mol864 | 25020465 | COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2 | emolecules | 0.848189117 | |
Mol865 | 27368582 | O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1 | emolecules | 1.751279104 | |
Mol866 | 44106917 | CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1 | emolecules | 1.738780558 | |
Mol867 | 30026465 | O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 | emolecules | 0.835690571 | |
Mol868 | 30026467 | CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1 | emolecules | 1.751663946 | |
Mol869 | 30026463 | Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C | emolecules | 1.0 | |
Mol870 | 208343 | Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1 | emolecules | 1.617210095 | |
Mol871 | 32147565 | CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1 | emolecules | 1.69399061 | |
Mol872 | 32147581 | CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1 | emolecules | 1.710540448 | |
Mol873 | 45664515 | O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1 | emolecules | 1.699143687 | |
Mol874 | 36356154 | COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1 | emolecules | 1.579326204 | |
Mol875 | 131225 | Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1 | emolecules | 1.745465169 | |
Mol876 | 260081695 | COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 | emolecules | 1.153509989 | |
Mol877 | 36269102 | Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1 | emolecules | 1.688864568 | |
Mol878 | 2191788 | COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 | emolecules | 1.0 | |
Mol879 | 110220963 | Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1 | emolecules | 1.733598461 | |
Mol880 | 45716971 | COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 | emolecules | 1.305566314 | |
Mol881 | 43559227 | CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1 | emolecules | 1.451325808 | |
Mol882 | 45763784 | Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1 | emolecules | 1.462397998 | |
Mol883 | 2343643 | Fc1cccc(CN2CCN(c3ncccn3)CC2)c1 | emolecules | 1.579783597 | |
Mol884 | 320420210 | CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O | emolecules | 1.669316881 | |
Mol885 | 181210453 | CCN(Cc1ccccc1)C(=O)c1cccnc1N | emolecules | 1.564666064 | |
Mol886 | 48629606 | Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1 | emolecules | 1.332842267 | |
Mol887 | 29601204 | CCCNC(=O)c1ccnc(N(C)C)c1 | emolecules | 1.580924976 | |
Mol888 | 32117877 | O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1 | emolecules | 1.794488047 | |
Mol889 | 43366906 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | emolecules | 1.068185862 | |
Mol890 | 32083468 | CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1 | emolecules | 1.688775655 | |
Mol891 | 31839122 | Cc1ccccc1C(=O)Nc1nc(C)c(C)s1 | emolecules | 1.482158695 | |
Mol892 | 43366944 | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O | emolecules | 1.649626887 | |
Mol893 | 2246274 | COc1ccccc1C(=O)Nc1cccc(C#N)c1 | emolecules | 1.519040039 | |
Mol894 | 43638490 | CO[C@H]1COCCN(C(=O)c2cccnc2)C1 | emolecules | 1.541579244 | |
Mol895 | 50136169 | CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1 | emolecules | 1.527114112 | |
Mol896 | 36962175 | Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 | emolecules | 1.627263417 | |
Mol897 | Z1611059418 | CC(C)c1nnc(NCc2ccn(C)c2)o1 | enamineHTS | 1.252367514 | |
Mol898 | 44845158 | COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 | emolecules | 1.110926242 | |
Mol899 | 152907 | CC(C)N1CCC(O)(c2ccccc2F)CC1 | emolecules | 1.617734035 | |
Mol900 | 31378111 | CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N | emolecules | 1.606703741 | |
Mol901 | 30063543 | O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 | emolecules | 1.720159303 | |
Mol902 | 31348551 | O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1 | emolecules | 1.748962861 | |
Mol903 | 45736512 | CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.738780558 | |
Mol904 | 31876232 | Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1 | emolecules | 1.486005186 | |
Mol905 | 26060327 | O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | emolecules | 0.916980047 | |
Mol906 | 227979253 | COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N | emolecules | 1.300812794 | |
Mol907 | 20072667 | CC(C)(C(=O)NCc1ccccn1)c1ccccc1 | emolecules | 1.889805752 | |
Mol908 | 31397472 | O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1 | emolecules | 1.783689236 | |
Mol909 | 7716996 | O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1 | emolecules | 1.734559822 | |
Mol910 | 32033578 | CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1 | emolecules | 1.408239965 | |
Mol911 | 36907186 | COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1 | emolecules | 1.720242018 | |
Mol912 | 11791483 | CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O | emolecules | 1.593618308 | |
Mol913 | 29581584 | CON(C)C(=O)CCc1c(C)nn(C)c1C | emolecules | 1.534026106 | |
Mol914 | 54864400 | CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 | emolecules | 1.751048035 | |
Mol915 | 35693197 | O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1 | emolecules | 1.734399743 | |
Mol916 | 32431408 | COc1ccc(C)cc1-c1cccnc1O | emolecules | 1.515873844 | |
Mol917 | 36447805 | N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1 | emolecules | 0.562292864 | |
Mol918 | 31412633 | Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1 | emolecules | 1.871047261 | |
Mol919 | 32446521 | O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1 | emolecules | 1.610660163 | |
Mol920 | 43382895 | O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1 | emolecules | 1.800235789 | |
Mol921 | 35739549 | COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1 | emolecules | 1.552668216 | |
Mol922 | 31951751 | CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 | emolecules | 1.65079304 | |
Mol923 | 35765811 | CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1 | emolecules | 1.88149878 | |
Mol924 | 45751322 | CN(CCc1ccccn1)C(=O)Nc1nncs1 | emolecules | 1.658869592 | |
Mol925 | 31997330 | CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1 | emolecules | 1.610660163 | |
Mol926 | 1527294 | COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1 | emolecules | 1.628899564 | |
Mol927 | 31231105 | O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 | emolecules | 1.673020907 | |
Mol928 | 31837160 | CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 | emolecules | 1.666985718 | |
Mol929 | 49972816 | Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1 | emolecules | 1.566201719 | |
Mol930 | 2059266 | CCN(CC)C(=O)c1ccc(NC(C)=O)cc1 | emolecules | 1.539076099 | |
Mol931 | 299994993 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | emolecules | 1.50758604 | |
Mol932 | MCULE-8889700922 | Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1 | mcule | 1.483872454 | |
Mol933 | 44598735 | CCOCC(=O)N1CCC2(CCc3ccccc3O2)CC1 | emolecules | 1.533263517 | |
Mol934 | 44598747 | CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1 | emolecules | 1.824321125 | |
Mol935 | 29703166 | CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1 | emolecules | 1.653115993 | |
Mol936 | 50132153 | CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 | emolecules | 1.830396176 | |
Mol937 | 33312531 | Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1 | emolecules | 1.882524538 | |
Mol938 | 73014318 | Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 | emolecules | 1.598024072 | |
Mol939 | 2873705 | Cc1ccccc1-n1nc(C(C)(C)C)cc1N | emolecules | 1.651374944 | |
Mol940 | 139887 | COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1 | emolecules | 1.848804701 | |
Mol941 | 53777805 | Cc1cccn(Cc2cccnc2)c1=O | emolecules | 1.672097858 | |
Mol942 | 25014865 | c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1 | emolecules | 1.749890841 | |
Mol943 | 33317735 | Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1 | emolecules | 1.514547753 | |
Mol944 | 27419746 | O=C(NCc1nncn1-c1ccccc1)C1CCCC1 | emolecules | 1.636086515 | |
Mol945 | 48309286 | Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O | emolecules | 1.465828815 | |
Mol946 | 23827295 | Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1 | emolecules | 1.606918526 | |
Mol947 | 46078321 | Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12 | emolecules | 1.765817515 | |
Mol948 | 42964650 | COCc1nc(-c2cc(F)ccc2F)c(C)s1 | emolecules | 0.556302501 | |
Mol949 | 16780289 | Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21 | emolecules | 0.591064607 | |
Mol950 | 29911643 | COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1 | emolecules | 1.418301291 | |
Mol951 | 43413534 | N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1 | emolecules | 1.058805487 | |
Mol952 | 42961556 | Cc1cccn(Cc2ccccc2F)c1=O | emolecules | 1.450249108 | |
Mol953 | 49961912 | N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2 | emolecules | 0.892094603 | |
Mol954 | 42956770 | CN(Cc1ccccn1)c1nc2ccccc2o1 | emolecules | 1.577951128 | |
Mol955 | 37112493 | O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1 | emolecules | 1.524655712 | |
Mol956 | 23728018 | Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1 | emolecules | 1.647969458 | |
Mol957 | 291159 | COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1 | emolecules | 1.670802284 | |
Mol958 | 49320295 | Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1 | emolecules | 1.615213335 | |
Mol959 | 49932658 | CCCCN(C)C(=O)Nc1cc(C)ccn1 | emolecules | 1.396548038 | |
Mol960 | 49955252 | Cn1cncc1CCNC(=O)[C@H]1CC1(C)C | emolecules | 1.459693976 | |
Mol961 | 30697446 | CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1 | emolecules | 1.754730469 | |
Mol962 | 30448845 | CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1 | emolecules | 1.560504415 | |
Mol963 | 30666181 | Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C | emolecules | 1.790636962 | |
Mol964 | 36464307 | c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1 | emolecules | 1.62024019 | |
Mol965 | 351738 | COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC | emolecules | 1.72427587 | |
Mol966 | 36791100 | Nc1nncc(-c2ccccc2OC(F)F)n1 | emolecules | 1.590061231 | |
Mol967 | 48312888 | Cc1cccc(C(=O)N(C)CCc2cnccn2)c1 | emolecules | 1.48258777 | |
Mol968 | 31878740 | O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1 | emolecules | 1.746244872 | |
Mol969 | 29577392 | O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1 | emolecules | 1.880298991 | |
Mol970 | 11812085 | CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1 | emolecules | 0.715167358 | |
Mol971 | 35709702 | CNC(=O)Cn1ccc2cc(OC)ccc21 | emolecules | 1.600646236 | |
Mol972 | 29658437 | C#CCNC(=O)c1cc(C(C)C)nn1CC | emolecules | 1.454082271 | |
Mol973 | 29658635 | CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 | emolecules | 1.712902125 | |
Mol974 | 6180154 | Cc1cccc2sc(NC(=O)C(C)(C)C)nc12 | emolecules | 1.354684554 | |
Mol975 | 24093551 | Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1 | emolecules | 1.520221436 | |
Mol976 | 36342874 | Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1 | emolecules | 1.676967814 | |
Mol977 | 13458787 | Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1 | emolecules | 0.149219113 | |
Mol978 | 36284654 | Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C | emolecules | 1.689663965 | |
Mol979 | 37022061 | COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC | emolecules | 1.678062905 | |
Mol980 | 3572643 | CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1 | emolecules | 1.794278866 | |
Mol981 | 32009324 | O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1 | emolecules | 1.226599905 | |
Mol982 | 32378112 | O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1 | emolecules | 1.5774918 | |
Mol983 | 48763678 | c1ccc(Cc2nnc(NC3CCOCC3)s2)cc1 | emolecules | 1.530967682 | |
Mol984 | 29618437 | Cc1ccc(CCNC(=O)c2ccncc2)o1 | emolecules | 1.466422722 | |
Mol985 | 72973086 | CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1 | emolecules | 1.341236623 | |
Mol986 | 30190454 | NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 | emolecules | 1.678973376 | |
Mol987 | 36261251 | O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1 | emolecules | 1.744684063 | |
Mol988 | 195031 | COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1 | emolecules | 1.672282625 | |
Mol989 | 48779690 | CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1 | emolecules | 1.168497484 | |
Mol990 | 32146431 | CN(CC(=O)Nc1ccncc1)C1CCCC1 | emolecules | 1.610553705 | |
Mol991 | 31911519 | CCn1cc(NC(=O)c2ccccc2C)cn1 | emolecules | 1.507451061 | |
Mol992 | 48259551 | CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1 | emolecules | 1.559068334 | |
Mol993 | 24070010 | Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C | emolecules | 1.884058647 | |
Mol994 | 31871793 | COc1ccccc1-c1nn(-c2ccccc2)cc1CO | emolecules | 1.295127085 | |
Mol995 | 46620326 | CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1 | emolecules | 1.320354033 | |
Mol996 | 49156244 | CCCCn1nc(-c2ccc(C)o2)nc1CNC | emolecules | 1.467015818 | |
Mol997 | 171697218 | CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 | emolecules | 1.652052848 | |
Mol998 | 31409108 | NCc1cccnc1OCc1ccccc1 | emolecules | 1.406369835 | |
Mol999 | 49155578 | Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1 | emolecules | 1.412964272 | |
Mol1000 | 32048916 | CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1 | emolecules | 1.5402043 | |
Mol1001 | 24069164 | O=C(CN1CCOC(c2ccc(F)cc2)C1)Nc1ccccc1OC(F)F | emolecules | 1.36361198 | |
Mol1002 | 15283106 | COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 | emolecules | 1.27989498 | |
Mol1003 | 14097435 | Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O | emolecules | 1.701395269 | |
Mol1004 | 267729 | CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1 | emolecules | 1.522574633 | |
Mol1005 | 30438633 | CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21 | emolecules | 0.176091259 | |
Mol1006 | 537527 | N=C(N)N/N=C/c1c(Cl)cccc1Cl | emolecules | 1.701481636 | |
Mol1007 | 1456984 | CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O | emolecules | 1.173768823 | |
Mol1008 | 50897890 | Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1 | emolecules | 0.509202522 | |
Mol1009 | 71010653 | O=C1N=C2C=CC=CN2C12Cc1ccccc1C2 | emolecules | 1.572871602 | |
Mol1010 | 222599 | c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1 | emolecules | 1.268811904 | |
Mol1011 | 33362309 | COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1 | emolecules | 0.892651034 | |
Mol1012 | 43272847 | Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1 | emolecules | 1.167612673 | |
Mol1013 | LN01342435 | N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1 | labnetworkBB | 1.60498163 | |
Mol1014 | 306388 | O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4 | emolecules | 1.905903766 | |
Mol1015 | 235805596 | CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1 | emolecules | 1.660391098 | |
Mol1016 | 205724941 | O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1 | emolecules | 1.720903171 | |
Mol1017 | 31323694 | Cc1nnc(NCc2cccnc2)c2ccccc12 | emolecules | 1.476106717 | |
Mol1018 | 31405077 | Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12 | emolecules | 1.634678752 | |
Mol1019 | 32494828 | CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O | emolecules | 1.591064607 | |
Mol1020 | 53882277 | O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2 | emolecules | 1.521661015 | |
Mol1021 | 11850006 | CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 | emolecules | 1.546295835 | |
Mol1022 | 429276 | CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1 | emolecules | 1.64246452 | |
Mol1023 | 37009919 | O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1 | emolecules | 1.755798657 | |
Mol1024 | 49995595 | CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1 | emolecules | 1.360404055 | |
Mol1025 | 49297145 | CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12 | emolecules | 1.790777601 | |
Mol1026 | 44551324 | Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1 | emolecules | 1.735439203 | |
Mol1027 | 2908077 | COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1 | emolecules | 1.672282625 | |
Mol1028 | 31878068 | Cc1ccc(C(=O)NCCc2csc(C)n2)cn1 | emolecules | 1.606381365 | |
Mol1029 | 2258851 | O=C(NCCc1ccccc1)c1cnccn1 | emolecules | 1.771293443 | |
Mol1030 | 49933864 | CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1 | emolecules | 1.698535493 | |
Mol1031 | 31921006 | CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O | emolecules | 1.845284126 | |
Mol1032 | 157255 | Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1 | emolecules | 1.781539969 | |
Mol1033 | 25726403 | N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1 | emolecules | 1.689308859 | |
Mol1034 | 32021126 | CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1 | emolecules | 1.789580712 | |
Mol1035 | 32434890 | Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C | emolecules | 1.717836867 | |
Mol1036 | 49670792 | COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1 | emolecules | 0.709269961 | |
Mol1037 | 25724621 | CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1 | emolecules | 1.574031268 | |
Mol1038 | 24873612 | COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1 | emolecules | 1.800442121 | |
Mol1039 | 24883050 | COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1 | emolecules | 1.744449457 | |
Mol1040 | MCULE-6903077184 | CC(=O)c1ccc(OCCCCN2CCCC2)cc1 | mcule | 1.559667278 | |
Mol1041 | 35717800 | O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12 | emolecules | 1.195899652 | |
Mol1042 | 32018130 | CSCc1csc(NC(C)=O)n1 | emolecules | 1.444981112 | |
Mol1043 | 29596013 | CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1 | emolecules | 1.662568967 | |
Mol1044 | 36933237 | CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F | emolecules | 1.664453929 | |
Mol1045 | 48213727 | c1cnc(-n2cccn2)c(CNC2CCCC2)c1 | emolecules | 1.4827307 | |
Mol1046 | 48257421 | CCc1nnc(Oc2cccnc2)c(C#N)c1CC | emolecules | 1.484869033 | |
Mol1047 | 3333585 | O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1 | emolecules | 1.441066407 | |
Mol1048 | 46223555 | Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1 | emolecules | 1.693199145 | |
Mol1049 | 30492996 | COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1 | emolecules | 1.568788212 | |
Mol1050 | 29912627 | Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1 | emolecules | 1.419955748 | |
Mol1051 | 36464053 | CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1 | emolecules | 1.316808752 | |
Mol1052 | 35690264 | O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1 | emolecules | 1.410777233 | |
Mol1053 | 53927369 | Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12 | emolecules | 1.501059262 | |
Mol1054 | 45475529 | CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O | emolecules | 1.683047038 | |
Mol1055 | 50428674 | CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21 | emolecules | 1.7930916 | |
Mol1056 | Z344039182 | O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 | enamineHTS | 1.790144365 | |
Mol1057 | 35684677 | COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.779596491 | |
Mol1058 | 42653736 | O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 | emolecules | 1.675778342 | |
Mol1059 | 43241548 | CC(=O)Nc1cc(CCC2CCNCC2)ccn1 | emolecules | 1.707399831 | |
Mol1060 | 29780390 | CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 | emolecules | 1.8409212 | |
Mol1061 | 49832746 | O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1 | emolecules | 1.487138375 | |
Mol1062 | 294504 | CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O | emolecules | 0.779596491 | |
Mol1063 | 5536034 | Cc1ccccc1CSc1ccc(-c2ccccn2)nn1 | emolecules | 0.243038049 | |
Mol1064 | 316806315 | CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 | emolecules | 1.72427587 | |
Mol1065 | 25764007 | O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 | emolecules | 1.794488047 | |
Mol1066 | 49968164 | CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1 | emolecules | 1.562887381 | |
Mol1067 | 41560058 | CCC1(O)CN(c2ncccc2C#N)C1 | emolecules | 1.356025857 | |
Mol1068 | 11015786 | Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 | emolecules | 1.788804493 | |
Mol1069 | 171753626 | O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1 | emolecules | 2.07371835 | |
Mol1070 | 1119882 | CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1 | emolecules | 1.546295835 | |
Mol1071 | 5662916 | CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21 | emolecules | 1.501880494 | |
Mol1072 | 235805590 | Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21 | emolecules | 1.41447195 | |
Mol1073 | 32069322 | Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12 | emolecules | 1.06069784 | |
Mol1074 | 35747521 | Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2 | emolecules | 1.726727209 | |
Mol1075 | 31841658 | Cc1ccc(CNC(=O)c2cccnc2)n1C | emolecules | 1.608526034 | |
Mol1076 | 31327400 | CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1 | emolecules | 1.63748973 | |
Mol1077 | 13159362 | Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1 | emolecules | 1.740125737 | |
Mol1078 | 49154015 | C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21 | emolecules | 1.520745472 | |
Mol1079 | 316140284 | CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1 | emolecules | 1.846646329 | |
Mol1080 | 177285116 | FC(F)(F)COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)nn1 | emolecules | 1.716670976 | |
Mol1081 | 2289263 | COc1ccccc1CC(=O)NC1CCN(C)CC1 | emolecules | 1.635282638 | |
Mol1082 | 32090192 | CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1 | emolecules | 1.639984248 | |
Mol1083 | 60174406 | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | emolecules | 1.560862695 | |
Mol1084 | 16298385 | Fc1ccccc1CNc1nc(-c2ccccc2)no1 | emolecules | 0.545307116 | |
Mol1085 | 36682965 | CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1 | emolecules | 1.683587318 | |
Mol1086 | 35754387 | CNC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1 | emolecules | 1.670987603 | |
Mol1087 | Z1240794986 | C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1 | enamineHTS | 1.653983907 | |
Mol1088 | 300481204 | N#Cc1ccccc1N1CCC(N)CC1 | emolecules | 1.738225448 | |
Mol1089 | 31416879 | N#Cc1ccc(Cn2cncn2)c(F)c1 | emolecules | 1.42373725 | |
Mol1090 | Z86139961 | Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12 | enamineHTS | 1.683767261 | |
Mol1091 | 48321050 | CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1 | emolecules | 1.589837943 | |
Mol1092 | 44447553 | Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1 | emolecules | 1.517855419 | |
Mol1093 | 178528031 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21 | emolecules | 0.267171728 | |
Mol1094 | 24065064 | Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1 | emolecules | 1.656002321 | |
Mol1095 | 31247054 | CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1 | emolecules | 1.563006187 | |
Mol1096 | 53815847 | COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1 | emolecules | 1.566201719 | |
Mol1097 | 29627941 | CCc1nc(NC(=O)c2ccccc2F)sc1C | emolecules | 1.361916619 | |
Mol1098 | 15270501 | Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 | emolecules | 1.112269768 | |
Mol1099 | 15276004 | O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1 | emolecules | 1.484299839 | |
Mol1100 | 43248547 | O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1 | emolecules | 1.963410016 | |
Mol1101 | 29683420 | CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O | emolecules | 1.635483747 | |
Mol1102 | 27352131 | O=C(CCc1ccco1)Nc1ccccc1OC(F)F | emolecules | 1.649626887 | |
Mol1103 | 33313717 | Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1 | emolecules | 1.750122527 | |
Mol1104 | 24472719 | Cc1noc(C)c1CCC(=O)Nc1cccnc1 | emolecules | 1.745933158 | |
Mol1105 | 48340662 | CCCN1CCCN(c2ncccc2C#N)CC1 | emolecules | 1.445136969 | |
Mol1106 | 11844078 | CSCc1c(C(=O)NC(C)C)oc2ccccc12 | emolecules | 1.445604203 | |
Mol1107 | 32157229 | Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12 | emolecules | 1.645225712 | |
Mol1108 | MCULE-1169396424 | CCOc1ccccc1CNCCc1c[nH]c2ccccc12 | mcule | 1.597804842 | |
Mol1109 | 1536855 | COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 | emolecules | 1.728434951 | |
Mol1110 | 48277570 | COc1ccncc1NCc1ccc2c(c1)OCCO2 | emolecules | 1.492620722 | |
Mol1111 | 106929051 | O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1 | emolecules | 1.2955671 | |
Mol1112 | 48791655 | Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1 | emolecules | 1.62838893 | |
Mol1113 | 44440551 | Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12 | emolecules | 1.297979244 | |
Mol1114 | 44591290 | O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1 | emolecules | 1.591064607 | |
Mol1115 | 300042043 | Clc1ccccc1CNCc1ccc2c(c1)OCCO2 | emolecules | 1.389520466 | |
Mol1116 | 20689377 | Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1 | emolecules | 1.331427297 | |
Mol1117 | 2890746 | O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1 | emolecules | 1.464638559 | |
Mol1118 | 193725 | COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1 | emolecules | 1.628286731 | |
Mol1119 | 30656579 | Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1 | emolecules | 1.50501424 | |
Mol1120 | 36951097 | c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1 | emolecules | 1.471438407 | |
Mol1121 | 202901 | Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1 | emolecules | 1.775537635 | |
Mol1122 | 44398457 | CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1 | emolecules | 1.547774705 | |
Mol1123 | 3566194 | Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1 | emolecules | 1.592509848 | |
Mol1124 | 29683998 | CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F | emolecules | 1.548389418 | |
Mol1125 | 31357352 | O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12 | emolecules | 1.650501795 | |
Mol1126 | 44416320 | O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12 | emolecules | 1.476541809 | |
Mol1127 | 1553046 | Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1 | emolecules | 0.436162647 | |
Mol1128 | 55623512 | Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO | emolecules | 1.679064318 | |
Mol1129 | 53873925 | COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 | emolecules | 1.921009802 | |
Mol1130 | 1556709 | Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1 | emolecules | 1.461348434 | |
Mol1131 | 48314264 | Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1 | emolecules | 1.696356389 | |
Mol1132 | LN00201761 | N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O | labnetworkBB | 1.769377326 | |
Mol1133 | 36906076 | O=C1CN(C(=O)c2ccc(F)cc2)CCN1 | emolecules | 1.672190251 | |
Mol1134 | 3347103 | CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1 | emolecules | 1.667639706 | |
Mol1135 | 195351220 | CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1 | emolecules | 1.835817354 | |
Mol1136 | 231820085 | Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1 | emolecules | 1.762453482 | |
Mol1137 | 315631672 | COc1c(N)ncnc1N1CCCC(C)(C)CC1 | emolecules | 1.583878599 | |
Mol1138 | 1284117 | COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC | emolecules | 0.63748973 | |
Mol1139 | 267985 | Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1 | emolecules | 1.77633791 | |
Mol1140 | 31835712 | Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C | emolecules | 1.592176757 | |
Mol1141 | 48276932 | O=C1CCCN1c1ccc(NCc2ccccn2)nc1 | emolecules | 1.735279448 | |
Mol1142 | 43674916 | Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1 | emolecules | 1.491781776 | |
Mol1143 | 25616683 | CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F | emolecules | 1.408748606 | |
Mol1144 | 25428520 | COc1ccccc1-c1nc(C(=O)O)cs1 | emolecules | 1.737192643 | |
Mol1145 | 48339892 | Cc1ccc(CC(=O)Nc2nc(C)no2)cn1 | emolecules | 1.631545228 | |
Mol1146 | 33339849 | CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21 | emolecules | 1.168497484 | |
Mol1147 | 44699501 | OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1 | emolecules | 1.04453976 | |
Mol1148 | 32636348 | Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1 | emolecules | 1.104487111 | |
Mol1149 | 18813553 | O=C(NCc1ccccn1)c1ccc(F)cc1Cl | emolecules | 1.593286067 | |
Mol1150 | 31708035 | Nc1ccc(CC(=O)Nc2ccccc2F)cc1 | emolecules | 1.732071941 | |
Mol1151 | 31847933 | COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F | emolecules | 1.66133934 | |
Mol1152 | 36890321 | Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C | emolecules | 1.453624074 | |
Mol1153 | 36889463 | CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1 | emolecules | 1.746089043 | |
Mol1154 | 1360373 | CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2 | emolecules | 1.9364132 | |
Mol1155 | 31231103 | COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O | emolecules | 1.863857962 | |
Mol1156 | 36268414 | Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1 | emolecules | 1.668385917 | |
Mol1157 | 15267772 | O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl | emolecules | 1.041392685 | |
Mol1158 | 15267776 | Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 | emolecules | 1.077367905 | |
Mol1159 | 44855101 | C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 | emolecules | 1.38219721 | |
Mol1160 | 30451421 | O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1 | emolecules | 1.501880494 | |
Mol1161 | 31856310 | Cc1cc(CN2CCN(c3ncccn3)CC2)on1 | emolecules | 1.564547712 | |
Mol1162 | 36686539 | CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2 | emolecules | 1.637289548 | |
Mol1163 | 208359 | CNC(=O)c1cc(C2CCN(C)CC2)ncn1 | emolecules | 1.511883361 | |
Mol1164 | 35754541 | CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1 | emolecules | 1.635986112 | |
Mol1165 | 35741943 | Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1 | emolecules | 1.675319983 | |
Mol1166 | 36918888 | Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1 | emolecules | 1.868526887 | |
Mol1167 | 48242285 | CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1 | emolecules | 1.510142699 | |
Mol1168 | 36695013 | Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1 | emolecules | 1.5132176 | |
Mol1169 | 43657166 | CC1(C)CCN(C(=O)NCCOc2cccnc2)C1 | emolecules | 1.599446376 | |
Mol1170 | 36647960 | CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2 | emolecules | 1.526339277 | |
Mol1171 | 30020148 | N#CCSCC(=O)NC1CCCCCC1 | emolecules | 1.651181062 | |
Mol1172 | 48840184 | Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br | emolecules | 1.674861141 | |
Mol1173 | 49943582 | CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2 | emolecules | 1.57634135 | |
Mol1174 | 48303504 | CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 | emolecules | 1.544440137 | |
Mol1175 | 31592368 | Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 | emolecules | 0.691081492 | |
Mol1176 | 49299793 | Brc1cc2c(cc1Cn1cncn1)OCCCO2 | emolecules | 1.536432176 | |
Mol1177 | 36259510 | COCCNc1ncnc2ccsc12 | emolecules | 1.610127613 | |
Mol1178 | 150731 | O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1 | emolecules | 1.476396827 | |
Mol1179 | 48953611 | CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1 | emolecules | 1.005180513 | |
Mol1180 | 44508907 | Cc1cnn(Cc2nc(Cn3cccn3)no2)c1 | emolecules | 1.556181847 | |
Mol1181 | 2292167 | COc1ccccc1CC(=O)Nc1ncc(C)s1 | emolecules | 0.819543936 | |
Mol1182 | 36294663 | CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1 | emolecules | 1.684845362 | |
Mol1183 | 36648519 | Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1 | emolecules | 1.683047038 | |
Mol1184 | 32043132 | Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1 | emolecules | 1.631849462 | |
Mol1185 | 33314123 | COCC(=O)Nc1cccc(-n2cccc2)c1 | emolecules | 1.706632451 | |
Mol1186 | 17400037 | CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1 | emolecules | 1.648457594 | |
Mol1187 | 329184 | Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1 | emolecules | 1.771219902 | |
Mol1188 | LN01313047 | CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 | labnetworkBB | 1.344392274 | |
Mol1189 | 49681766 | CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1 | emolecules | 1.541204691 | |
Mol1190 | 32230796 | Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1 | emolecules | 1.465828815 | |
Mol1191 | 49322283 | CC(C)c1nc(NCc2cccnc2)n(C)n1 | emolecules | 1.581608366 | |
Mol1192 | 411314 | COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1 | emolecules | 1.775974331 | |
Mol1193 | 13484504 | CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1 | emolecules | 1.691965103 | |
Mol1194 | 104352855 | O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2 | emolecules | 1.783832143 | |
Mol1195 | 30765753 | O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1 | emolecules | 1.662285516 | |
Mol1196 | 29911609 | COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1 | emolecules | 1.40654018 | |
Mol1197 | 45668511 | Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1 | emolecules | 1.717670503 | |
Mol1198 | 31254852 | CCC(=O)N(C)c1ccccc1C(=O)O | emolecules | 1.561339941 | |
Mol1199 | 44575095 | CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1 | emolecules | 1.694078462 | |
Mol1200 | 48312238 | C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1 | emolecules | 1.402948829 | |
Mol1201 | 49152821 | COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1 | emolecules | 1.610660163 | |
Mol1202 | 1373175 | Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O | emolecules | 1.669595781 | |
Mol1203 | 43382809 | Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1 | emolecules | 1.880241776 | |
Mol1204 | 876432 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | emolecules | 1.004321374 | |
Mol1205 | 16692987 | COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1 | emolecules | 1.188647296 | |
Mol1206 | 43251081 | O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1 | emolecules | 1.654946227 | |
Mol1207 | 30457837 | Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 | emolecules | 1.739255803 | |
Mol1208 | 43287625 | O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2 | emolecules | 1.388101202 | |
Mol1209 | 35689572 | Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1 | emolecules | 1.612041745 | |
Mol1210 | 36910847 | O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O | emolecules | 1.690727544 | |
Mol1211 | MCULE-3550646247 | N#CC1(NC(=O)CN2CCOCC2)CCCCCC1 | mcule | 1.653791187 | |
Mol1212 | 36913784 | O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1 | emolecules | 1.553761698 | |
Mol1213 | 31611971 | C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12 | emolecules | 1.65829765 | |
Mol1214 | 36258440 | CN(C)C(C)(C)CNc1ncnc2ccccc12 | emolecules | 1.59206567 | |
Mol1215 | 877450 | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F | emolecules | 1.632693441 | |
Mol1216 | 30550521 | COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1 | emolecules | 1.643452676 | |
Mol1217 | 43249441 | Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1 | emolecules | 1.653598382 | |
Mol1218 | 32176610 | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl | emolecules | 1.11058971 | |
Mol1219 | 20593051 | Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1 | emolecules | 1.056904851 | |
Mol1220 | 3477427 | Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1 | emolecules | 0.130333768 | |
Mol1221 | 48836360 | N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 | emolecules | 0.857332496 | |
Mol1222 | 45748880 | CON(C)C(=O)Cc1c(C)[nH]c2ccccc12 | emolecules | 1.724029973 | |
Mol1223 | 45491581 | Cc1cccc(Oc2ncccc2N)c1C | emolecules | 1.656385719 | |
Mol1224 | 44588358 | CC(C)c1cnc(COc2ccc(Br)nc2)o1 | emolecules | 1.61992771 | |
Mol1225 | 44811839 | CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 | emolecules | 0.644438589 | |
Mol1226 | 35721780 | CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 | emolecules | 1.844849801 | |
Mol1227 | 29590164 | N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1 | emolecules | 1.579097327 | |
Mol1228 | 17660388 | Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O | emolecules | 0.713490543 | |
Mol1229 | 11833271 | C#CCNC(=O)Cc1coc2cc(OC)ccc12 | emolecules | 1.751587005 | |
Mol1230 | 321036 | COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C | emolecules | 0.926342447 | |
Mol1231 | 260568164 | CN(C)c1nc(N)nc(Sc2ccccc2)n1 | emolecules | 0.492760389 | |
Mol1232 | 3686549 | Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12 | emolecules | 1.042181595 | |
Mol1233 | 24068092 | O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1 | emolecules | 1.717670503 | |
Mol1234 | 43212065 | CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1 | emolecules | 1.561339941 | |
Mol1235 | 44426195 | Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1 | emolecules | 1.66407759 | |
Mol1236 | 300062043 | c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1 | emolecules | 1.401572846 | |
Mol1237 | 46622380 | CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1 | emolecules | 1.346744055 | |
Mol1238 | 197589 | Nc1nc(-c2ccccc2)nc2nc(C3CCCN(CC(=O)N4CCCC4)C3)ccc12 | emolecules | 1.836165816 | |
Mol1239 | 525100 | COc1cc(C(=O)O)c(N)c(OC)c1OC | emolecules | 1.73183042 | |
Mol1240 | 32131885 | CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1 | emolecules | 1.698709349 | |
Mol1241 | 31998416 | O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1 | emolecules | 1.667452953 | |
Mol1242 | 45903948 | COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC | emolecules | 0.993876915 | |
Mol1243 | 300764697 | Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | emolecules | 1.710963119 | |
Mol1244 | 342116 | COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1 | emolecules | 1.205745541 | |
Mol1245 | 3562110 | NC(=O)COc1ncnc2ccccc12 | emolecules | 1.679881942 | |
Mol1246 | MCULE-5424274650 | O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 | mcule | 1.667452953 | |
Mol1247 | 1527366 | CN(C)CCN(Cc1ccccc1)Cc1ccccc1O | emolecules | 1.622628426 | |
Mol1248 | 42859262 | Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1 | emolecules | 1.40790054 | |
Mol1249 | 2205552 | CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O | emolecules | 1.461798558 | |
Mol1250 | 209889 | Cn1nccc1CC1CCN(C2CCCC2)CC1 | emolecules | 1.41763774 | |
Mol1251 | 31609908 | C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1 | emolecules | 1.429590802 | |
Mol1252 | 178526390 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 | emolecules | 1.440279213 | |
Mol1253 | 152833 | CC(=O)Nc1cnn(CC2CCN(C)CC2)c1 | emolecules | 1.371067862 | |
Mol1254 | 53926144 | Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12 | emolecules | 1.64738297 | |
Mol1255 | 43663244 | CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1 | emolecules | 1.471585054 | |
Mol1256 | 329518 | Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O | emolecules | 1.690639012 | |
Mol1257 | 11010047 | Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1 | emolecules | 1.549493713 | |
Mol1258 | 29665944 | Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12 | emolecules | 1.873262459 | |
Mol1259 | 49335777 | Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1 | emolecules | 1.520876382 | |
Mol1260 | 32113613 | Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1 | emolecules | 1.748730556 | |
Mol1261 | 36662114 | CS(=O)(=O)Cc1ccn(-c2ccccc2)n1 | emolecules | 1.507855872 | |
Mol1262 | 25831603 | CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 | emolecules | 1.452859336 | |
Mol1263 | 11841196 | CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | emolecules | 1.941461739 | |
Mol1264 | 43571967 | CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1 | emolecules | 1.544688022 | |
Mol1265 | 43081435 | COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1 | emolecules | 1.255513713 | |
Mol1266 | 11478087 | Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12 | emolecules | 1.396722279 | |
Mol1267 | 31603444 | O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1 | emolecules | 1.351409752 | |
Mol1268 | 313512024 | C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O | emolecules | 1.326335861 | |
Mol1269 | 20740589 | CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 | emolecules | 1.412292509 | |
Mol1270 | 36435318 | Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1 | emolecules | 1.699751032 | |
Mol1271 | 46613610 | CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1 | emolecules | 1.50242712 | |
Mol1272 | 14383848 | CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C | emolecules | 1.487703863 | |
Mol1273 | Z1373904915 | CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21 | enamineHTS | 1.762228284 | |
Mol1274 | 18855069 | Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1 | emolecules | 1.675595056 | |
Mol1275 | 31912359 | CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1 | emolecules | 1.614897216 | |
Mol1276 | 24879320 | O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1 | emolecules | 1.728353782 | |
Mol1277 | 42966292 | COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1 | emolecules | 1.633468456 | |
Mol1278 | 33363767 | COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1 | emolecules | 1.521138084 | |
Mol1279 | 50406372 | CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1 | emolecules | 0.290034611 | |
Mol1280 | 157063 | NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1 | emolecules | 1.888123307 | |
Mol1281 | 11480015 | CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1 | emolecules | 0.431363764 | |
Mol1282 | 25738287 | O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1 | emolecules | 1.658964843 | |
Mol1283 | 23808246 | Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 | emolecules | 1.694078462 | |
Mol1284 | 25743871 | COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O | emolecules | 1.507855872 | |
Mol1285 | 326092 | Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1 | emolecules | 1.137037455 | |
Mol1286 | 1546088 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1 | emolecules | 1.599555591 | |
Mol1287 | 48439112 | O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 | emolecules | 1.652729696 | |
Mol1288 | 43132553 | c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1 | emolecules | 1.419790586 | |
Mol1289 | 44385386 | Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1 | emolecules | 1.755722445 | |
Mol1290 | 32029938 | COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1 | emolecules | 1.346352974 | |
Mol1291 | 36914406 | CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1 | emolecules | 1.920540717 | |
Mol1292 | 30571034 | CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1 | emolecules | 1.688419822 | |
Mol1293 | 24024401 | O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2 | emolecules | 1.75327657 | |
Mol1294 | 36981448 | Cc1cccc(N(C)C(=O)COC2CCCC2)n1 | emolecules | 1.775391972 | |
Mol1295 | 32020284 | Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1 | emolecules | 0.941014244 | |
Mol1296 | 314274 | CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1 | emolecules | 1.843544212 | |
Mol1297 | 32278068 | Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1 | emolecules | 1.267171728 | |
Mol1298 | LN01331065 | OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 | labnetworkBB | 1.136720567 | |
Mol1299 | 49350315 | Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 | emolecules | 0.409933123 | |
Mol1300 | 42942540 | Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C | emolecules | 1.681422156 | |
Mol1301 | 184567 | CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1 | emolecules | 1.790496277 | |
Mol1302 | 43427775 | Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1 | emolecules | 1.507451061 | |
Mol1303 | 15280962 | Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | emolecules | 0.527629901 | |
Mol1304 | 35705370 | Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1 | emolecules | 1.745387121 | |
Mol1305 | 32369318 | Cc1ccc(-c2cnc(N)cn2)c2cccnc12 | emolecules | 1.502973059 | |
Mol1306 | 11009421 | COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1 | emolecules | 1.062205809 | |
Mol1307 | 48250662 | O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1 | emolecules | 1.342422681 | |
Mol1308 | 48631332 | c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1 | emolecules | 1.550961752 | |
Mol1309 | 43106737 | Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12 | emolecules | 1.351796307 | |
Mol1310 | 48301846 | CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1 | emolecules | 1.568084331 | |
Mol1311 | 43585059 | CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1 | emolecules | 1.46612587 | |
Mol1312 | 29963741 | Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C | emolecules | 1.536810866 | |
Mol1313 | 35731142 | CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.675136504 | |
Mol1314 | 30039419 | Nc1ccccc1OCCn1ccnc1 | emolecules | 1.391993072 | |
Mol1315 | 36008838 | CCCCCCNc1ncnc2[nH]ccc12 | emolecules | 1.26904571 | |
Mol1316 | 46041909 | Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1 | emolecules | 1.069668097 | |
Mol1317 | 183257 | CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1 | emolecules | 1.666517981 | |
Mol1318 | 25750075 | O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 | emolecules | 1.498310554 | |
Mol1319 | 49958096 | CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1 | emolecules | 1.699837726 | |
Mol1320 | 313514585 | COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1 | emolecules | 1.528273777 | |
Mol1321 | 35754411 | CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1 | emolecules | 1.716587578 | |
Mol1322 | 42949037 | Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1 | emolecules | 1.368658712 | |
Mol1323 | 300480727 | CCc1noc(-c2ccc(CCN)cc2)n1 | emolecules | 1.644241586 | |
Mol1324 | 1541141 | O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O | emolecules | 1.783188691 | |
Mol1325 | 36264533 | O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1 | emolecules | 1.677606953 | |
Mol1326 | 27425362 | Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1 | emolecules | 0.206825876 | |
Mol1327 | 31844110 | O=C(CN1CCc2ccccc21)N1CCNC1=O | emolecules | 1.439332694 | |
Mol1328 | 43245209 | O=C(O)c1c2ccccc2nn1Cc1ccccc1 | emolecules | 1.570192561 | |
Mol1329 | 315782 | Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C | emolecules | 1.746011108 | |
Mol1330 | 1536151 | COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1 | emolecules | 1.465680212 | |
Mol1331 | 1543632 | CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1 | emolecules | 0.382017043 | |
Mol1332 | 49971700 | Cc1cccc(NCCc2cn3c(n2)CCCC3)n1 | emolecules | 1.491361694 | |
Mol1333 | 49655478 | COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1 | emolecules | 1.672005445 | |
Mol1334 | 42942710 | Cc1cc(N(C)C)nc(-n2ccnc2)n1 | emolecules | 1.454692449 | |
Mol1335 | 50131633 | CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1 | emolecules | 1.709439574 | |
Mol1336 | 1324972 | COc1cc2c(cc1NC(C)=O)oc1ccccc12 | emolecules | 1.536558443 | |
Mol1337 | 271693 | Cn1cncc1-c1ncccc1C(=O)N1CCCC1 | emolecules | 1.733839001 | |
Mol1338 | 30724831 | Cc1noc(C(C)C)c1C(=O)Nc1ccccn1 | emolecules | 1.765445018 | |
Mol1339 | 44466308 | Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1 | emolecules | 1.617419747 | |
Mol1340 | 31854715 | CNC(=O)CCc1nc(-c2ccccn2)no1 | emolecules | 1.702861171 | |
Mol1341 | 36922856 | O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O | emolecules | 1.654561555 | |
Mol1342 | 42942714 | Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1 | emolecules | 1.36660971 | |
Mol1343 | 45697853 | N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1 | emolecules | 1.480868924 | |
Mol1344 | 2937124 | CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 | emolecules | 0.338456494 | |
Mol1345 | 7689820 | Nc1nc(N)c2c(Cl)c(Br)ccc2n1 | emolecules | 1.391111614 | |
Mol1346 | 32434626 | c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1 | emolecules | 1.226084116 | |
Mol1347 | 193881 | Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1 | emolecules | 0.926342447 | |
Mol1348 | 29773508 | Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1 | emolecules | 1.629409599 | |
Mol1349 | 36790963 | Cc1ccnc(Oc2cc(N)ccc2C)c1 | emolecules | 1.548266545 | |
Mol1350 | 11000834 | CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1 | emolecules | 0.816903839 | |
Mol1351 | 206425 | Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O | emolecules | 1.724603515 | |
Mol1352 | 48299012 | CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2 | emolecules | 1.099335278 | |
Mol1353 | 48638440 | Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 | emolecules | 1.654946227 | |
Mol1354 | 42946564 | COc1cc(CNc2nc3ccccc3nc2C)ccn1 | emolecules | 1.428458774 | |
Mol1355 | 31888771 | CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 | emolecules | 1.668012972 | |
Mol1356 | 43211903 | Cc1ccc(-c2ccnc(N3C[C@@H](C)NC[C@@H]3C)n2)c(C)n1 | emolecules | 1.413634997 | |
Mol1357 | 32070902 | Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1 | emolecules | 1.794348604 | |
Mol1358 | 1425831 | Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1 | emolecules | 1.217483944 | |
Mol1359 | 24039580 | CCC(=O)N(C)CC(=O)Nc1cccc(F)c1 | emolecules | 1.651084089 | |
Mol1360 | 43583679 | O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21 | emolecules | 0.814913181 | |
Mol1361 | 43657264 | O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1 | emolecules | 1.720985744 | |
Mol1362 | 31274390 | Cc1ccccc1-n1cc[nH]c(=O)c1=O | emolecules | 1.766635886 | |
Mol1363 | 36705292 | CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1 | emolecules | 1.686546899 | |
Mol1364 | 4752649 | c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1 | emolecules | 0.696356389 | |
Mol1365 | 1542910 | CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 | emolecules | 1.264817823 | |
Mol1366 | 11883158 | COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C | emolecules | 1.608526034 | |
Mol1367 | 45665715 | CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1 | emolecules | 1.664547962 | |
Mol1368 | 50141257 | O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1 | emolecules | 1.591732239 | |
Mol1369 | 44389972 | Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1 | emolecules | 1.483301952 | |
Mol1370 | 48835672 | CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 | emolecules | 1.824581376 | |
Mol1371 | 48780034 | CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1 | emolecules | 1.613841822 | |
Mol1372 | 209461 | NC(=O)CC1CCN(c2ncccn2)CC1 | emolecules | 1.765072201 | |
Mol1373 | 48764146 | COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1 | emolecules | 1.46686762 | |
Mol1374 | 29627143 | Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 | emolecules | 1.581494542 | |
Mol1375 | 25646720 | O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2 | emolecules | 1.062581984 | |
Mol1376 | 165247 | Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1 | emolecules | 1.905364069 | |
Mol1377 | 31205261 | CCCC(=O)Nc1ccc(C)c2ncccc12 | emolecules | 1.700703717 | |
Mol1378 | 31863944 | CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1 | emolecules | 1.797059695 | |
Mol1379 | 29676702 | O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1 | emolecules | 1.739572344 | |
Mol1380 | 228285 | CCn1nccc1-c1cc(CC2CCNCC2)ncn1 | emolecules | 1.571359393 | |
Mol1381 | 31919176 | Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1 | emolecules | 1.610873 | |
Mol1382 | 31356688 | O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1 | emolecules | 1.329601248 | |
Mol1383 | 1123117 | O=c1[nH]c2cnccc2n1Cc1ccccc1 | emolecules | 1.497896743 | |
Mol1384 | 37000875 | Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O | emolecules | 1.710878618 | |
Mol1385 | 32423148 | Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1 | emolecules | 1.302763708 | |
Mol1386 | 23809094 | CCCn1ncc2[nH]c(C3CCCCC3)nc21 | emolecules | 1.350829274 | |
Mol1387 | 42961472 | Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F | emolecules | 1.610873 | |
Mol1388 | 24879868 | CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21 | emolecules | 1.84540814 | |
Mol1389 | 2202636 | O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1 | emolecules | 0.388278863 | |
Mol1390 | 2258308 | O=C(Nc1nc2ccccc2[nH]1)c1ccncc1 | emolecules | 0.706717782 | |
Mol1391 | 19162470 | O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1 | emolecules | 1.624591459 | |
Mol1392 | 32144061 | CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1 | emolecules | 1.698100546 | |
Mol1393 | 1933590 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | emolecules | 1.713826424 | |
Mol1394 | 37817860 | CC(C)(C)n1cc(CNc2cccnc2)cn1 | emolecules | 1.405687787 | |
Mol1395 | 31929992 | Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1 | emolecules | 1.582290683 | |
Mol1396 | 1249615 | Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1 | emolecules | 0.693726949 | |
Mol1397 | 44447021 | Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1 | emolecules | 1.789510204 | |
Mol1398 | Z57841791 | Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21 | enamineHTS | 1.650987094 | |
Mol1399 | 31875350 | Cc1ccnc(NC(=O)CN2CCCC2=O)c1 | emolecules | 1.741151599 | |
Mol1400 | 36440866 | CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1 | emolecules | 1.546666025 | |
Mol1401 | 46596571 | Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1 | emolecules | 1.683947131 | |
Mol1402 | 43112807 | CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1 | emolecules | 1.375663614 | |
Mol1403 | 20650033 | Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1 | emolecules | 0.741151599 | |
Mol1404 | 32427430 | COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1 | emolecules | 1.613841822 | |
Mol1405 | 31378890 | O=C(NCC1(c2ccccc2)CC1)c1cccnc1 | emolecules | 1.614897216 | |
Mol1406 | 19991792 | C#CCNC(=O)CCc1c(C)nn(C)c1C | emolecules | 1.784831178 | |
Mol1407 | 3683577 | COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2 | emolecules | 1.344392274 | |
Mol1408 | 16732808 | COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2 | emolecules | 1.740362689 | |
Mol1409 | 30696460 | COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2 | emolecules | 1.791339704 | |
Mol1410 | 30431093 | Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2 | emolecules | 1.034227261 | |
Mol1411 | 35733771 | COc1ccc2nc(NCc3cnn(C)c3)ccc2c1 | emolecules | 1.541329578 | |
Mol1412 | 27432296 | O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1 | emolecules | 1.626340367 | |
Mol1413 | 36922204 | Cc1nnc(N2CCCSCC2)c(C#N)c1C | emolecules | 1.373463722 | |
Mol1414 | 11011932 | CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C | emolecules | 1.771954749 | |
Mol1415 | 48794033 | CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C | emolecules | 1.875061263 | |
Mol1416 | 171697212 | Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1 | emolecules | 1.79239169 | |
Mol1417 | 48224722 | c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1 | emolecules | 1.690107439 | |
Mol1418 | 38522400 | CC(C)n1nnnc1-c1ccc(N)cc1F | emolecules | 1.371806459 | |
Mol1419 | 36671973 | Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21 | emolecules | 1.72427587 | |
Mol1420 | 34501664 | O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl | emolecules | 0.712649702 | |
Mol1421 | 32376162 | Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1 | emolecules | 1.371067862 | |
Mol1422 | 35754209 | CCN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1 | emolecules | 1.589949601 | |
Mol1423 | 49964732 | Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1 | emolecules | 1.558708571 | |
Mol1424 | 46651868 | CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1 | emolecules | 1.341236623 | |
Mol1425 | 44457145 | CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl | emolecules | 0.288919606 | |
Mol1426 | 45766450 | COc1ccc(C(=O)N2CCCC2)cc1NC(C)C | emolecules | 1.554610285 | |
Mol1427 | 42897127 | O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1 | emolecules | 1.544440137 | |
Mol1428 | 93438708 | Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12 | emolecules | 1.813847754 | |
Mol1429 | 45689545 | N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 | emolecules | 1.814913181 | |
Mol1430 | 43596043 | CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1 | emolecules | 1.433769834 | |
Mol1431 | 11479585 | CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1 | emolecules | 0.413299764 | |
Mol1432 | 44388898 | N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1 | emolecules | 1.723044992 | |
Mol1433 | MCULE-6181763916 | Cc1noc(OCC(=O)N2CCCCCC2)n1 | mcule | 1.701049631 | |
Mol1434 | 25618066 | Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1 | emolecules | 0.369215857 | |
Mol1435 | 49352627 | CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C | emolecules | 1.910250772 | |
Mol1436 | 36419852 | Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1 | emolecules | 1.544440137 | |
Mol1437 | 149747 | Cc1ccnc(C2CCN(C3CCCC3)CC2)n1 | emolecules | 1.205745541 | |
Mol1438 | 177167 | Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1 | emolecules | 1.757851344 | |
Mol1439 | 301039966 | CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO | emolecules | 1.812311609 | |
Mol1440 | 11938711 | O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1 | emolecules | 0.763427994 | |
Mol1441 | 11813013 | CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.755112266 | |
Mol1442 | 3596324 | O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21 | emolecules | 1.339451441 | |
Mol1443 | 29640121 | CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1 | emolecules | 1.813314059 | |
Mol1444 | 32037496 | N#Cc1ccccc1OCc1csc(-c2ncccn2)n1 | emolecules | 1.103461622 | |
Mol1445 | 1556512 | Nc1ccc2c(c1)ncn2CCc1ccccc1 | emolecules | 1.584218112 | |
Mol1446 | 35754185 | COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1 | emolecules | 1.761401558 | |
Mol1447 | 35692276 | CCONC(=O)c1sc(C)nc1C | emolecules | 1.462397998 | |
Mol1448 | 30492932 | Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1 | emolecules | 1.201397124 | |
Mol1449 | 29912873 | CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1 | emolecules | 1.564666064 | |
Mol1450 | 29912571 | O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 | emolecules | 1.51054501 | |
Mol1451 | 29912859 | N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1 | emolecules | 1.700703717 | |
Mol1452 | 33368543 | O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1 | emolecules | 1.889357737 | |
Mol1453 | 46026615 | FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1 | emolecules | 1.65195607 | |
Mol1454 | 48832018 | O=C(Cc1cccc(I)c1)N1CC(CO)C1 | emolecules | 1.624282096 | |
Mol1455 | 46603974 | Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1 | emolecules | 1.616790486 | |
Mol1456 | 32436924 | CCc1oc2c(-n3cnnc3)cccc2c1C | emolecules | 1.354108439 | |
Mol1457 | 36458355 | CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1 | emolecules | 1.565847819 | |
Mol1458 | 36568125 | CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1 | emolecules | 1.603252662 | |
Mol1459 | 49682290 | Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1 | emolecules | 1.124178055 | |
Mol1460 | 901986 | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | emolecules | 1.469232743 | |
Mol1461 | 45670925 | Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N | emolecules | 1.597695186 | |
Mol1462 | 32278090 | COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1 | emolecules | 0.531478917 | |
Mol1463 | 30043512 | CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 | emolecules | 1.841296887 | |
Mol1464 | 25609569 | COc1cccc(-c2cccc(N)n2)c1F | emolecules | 1.260071388 | |
Mol1465 | 31968914 | Cc1ccc(CNC(=O)c2cccs2)cn1 | emolecules | 1.718750735 | |
Mol1466 | 197945 | Cc1cc(Nc2ccccn2)cc(C2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1 | emolecules | 1.81640703 | |
Mol1467 | 207489 | O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1 | emolecules | 0.591064607 | |
Mol1468 | MCULE-2124560621 | CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1 | mcule | 1.863263364 | |
Mol1469 | 49352631 | CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C | emolecules | 1.748962861 | |
Mol1470 | 53752451 | O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | emolecules | 0.481442629 | |
Mol1471 | 1536313 | C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2 | emolecules | 1.602819342 | |
Mol1472 | 32443301 | Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2 | emolecules | 1.630326155 | |
Mol1473 | 31417877 | Cn1cc(C(=O)O)c(C2CCCCC2)n1 | emolecules | 1.526726867 | |
Mol1474 | 3035918 | O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2 | emolecules | 1.780533325 | |
Mol1475 | 29689751 | O=C(NCc1cccnc1)c1sccc1-c1ccccc1 | emolecules | 1.816771412 | |
Mol1476 | 35700952 | Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br | emolecules | 1.858837851 | |
Mol1477 | 24874030 | COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1 | emolecules | 1.74647851 | |
Mol1478 | 31935468 | O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2 | emolecules | 1.373831145 | |
Mol1479 | 33353814 | O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1 | emolecules | 0.963787827 | |
Mol1480 | 48242383 | Cc1cnc(CNCc2cccc3c2OCO3)s1 | emolecules | 1.542202782 | |
Mol1481 | 49976216 | CNC(=O)Cc1nc(-c2cncc(C)c2)cs1 | emolecules | 1.574956776 | |
Mol1482 | 16785188 | Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21 | emolecules | 1.600101256 | |
Mol1483 | 11868858 | CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 | emolecules | 1.283301229 | |
Mol1484 | 49968178 | CN(Cc1ccc(N)nc1)c1ncccn1 | emolecules | 1.454997217 | |
Mol1485 | 41287015 | CN(CCc1ccccc1)C(=O)CC#N | emolecules | 1.51201697 | |
Mol1486 | 31413696 | Cc1csc(Nc2ccc(C#N)cc2)n1 | emolecules | 1.582063363 | |
Mol1487 | 32138137 | Cc1noc(CCNc2ncnc3ccccc23)n1 | emolecules | 1.581608366 | |
Mol1488 | 18918409 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O | emolecules | 1.68735057 | |
Mol1489 | 152649 | CCCC(=O)N1CCC(c2cccc(C)n2)CC1 | emolecules | 1.604226053 | |
Mol1490 | 2042658 | O=C(Cc1cccs1)NCc1ccccc1F | emolecules | 1.541454429 | |
Mol1491 | 16760340 | O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F | emolecules | 1.604550033 | |
Mol1492 | 49310649 | c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1 | emolecules | 1.612359948 | |
Mol1493 | 49951918 | Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1 | emolecules | 1.454692449 | |
Mol1494 | 11477618 | O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 | emolecules | 1.607455023 | |
Mol1495 | 44811450 | Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl | emolecules | 1.017033339 | |
Mol1496 | 31847077 | O=C(NC1CC1)c1cccc2cccnc12 | emolecules | 1.528788192 | |
Mol1497 | 49151417 | COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1 | emolecules | 1.421603927 | |
Mol1498 | 49973690 | C1CCC(OCc2noc(C3CC3)n2)CC1 | emolecules | 1.209515015 | |
Mol1499 | 24062566 | Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 | emolecules | 0.11058971 | |
Mol1500 | 49383433 | CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12 | emolecules | 1.710963119 | |
Mol1501 | 43241226 | Cn1nc(C2CCNCC2)c2cccnc21 | emolecules | 1.727134424 | |
Mol1502 | 45750904 | Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1 | emolecules | 1.629409599 | |
Mol1503 | 43581803 | Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1 | emolecules | 0.7084209 | |
Mol1504 | 49160264 | CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1 | emolecules | 0.130333768 | |
Mol1505 | 20478041 | O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1 | emolecules | 1.385248682 | |
Mol1506 | 11813315 | O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 | emolecules | 0.432969291 | |
Mol1507 | 50897900 | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 | emolecules | 1.560265398 | |
Mol1508 | 44501962 | Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1 | emolecules | 1.786680453 | |
Mol1509 | 226909 | Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1 | emolecules | 1.562887381 | |
Mol1510 | 30658737 | CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1 | emolecules | 1.07371835 | |
Mol1511 | 317396814 | Cc1ccc(-c2ccnc(O)c2C#N)cc1 | emolecules | 1.068185862 | |
Mol1512 | 43060096 | COc1cncc(-c2ccnc3[nH]ccc23)c1 | emolecules | 1.380211242 | |
Mol1513 | 32785534 | Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1 | emolecules | 1.631950826 | |
Mol1514 | 48755678 | Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1 | emolecules | 1.560862695 | |
Mol1515 | 48752236 | Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1 | emolecules | 1.575187845 | |
Mol1516 | 295412827 | c1ccc(CN2CCn3nccc3C2)cc1 | emolecules | 1.184691431 | |
Mol1517 | 11882682 | CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 | emolecules | 1.757927183 | |
Mol1518 | 44462122 | CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 | emolecules | 0.526339277 | |
Mol1519 | 23998653 | O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1 | emolecules | 1.848435455 | |
Mol1520 | 17943398 | CCN(CC)C(=O)N1CCC(C(=O)O)CC1 | emolecules | 1.779452183 | |
Mol1521 | 31619881 | CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 | emolecules | 1.347330015 | |
Mol1522 | 36706256 | Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1 | emolecules | 1.722140125 | |
Mol1523 | 46038339 | c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1 | emolecules | 1.544440137 | |
Mol1524 | 18894115 | Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1 | emolecules | 1.582517884 | |
Mol1525 | 552358 | CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 | emolecules | 1.556302501 | |
Mol1526 | 24889188 | Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2 | emolecules | 1.305351369 | |
Mol1527 | 136045 | COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1 | emolecules | 1.621280168 | |
Mol1528 | 36340866 | CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 | emolecules | 1.691700208 | |
Mol1529 | 2332052 | O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1 | emolecules | 1.567144045 | |
Mol1530 | 3595726 | O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12 | emolecules | 1.269512944 | |
Mol1531 | 48316168 | Cn1cc(CCNc2cncc(Br)c2)cn1 | emolecules | 1.606381365 | |
Mol1532 | 25726407 | N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1 | emolecules | 1.511080846 | |
Mol1533 | 177360703 | Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O | emolecules | 1.775901579 | |
Mol1534 | 31213616 | Cc1noc(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 | emolecules | 0.899820502 | |
Mol1535 | 341560 | Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1 | emolecules | 1.696181587 | |
Mol1536 | 48278518 | Cc1nnnn1CCN(C)c1ccccc1 | emolecules | 1.048053173 | |
Mol1537 | 29574117 | CCC(=O)NCc1ccnc(N(C)C)c1 | emolecules | 1.485011215 | |
Mol1538 | 35762433 | Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1 | emolecules | 1.941262909 | |
Mol1539 | 104348771 | c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2 | emolecules | 1.547774705 | |
Mol1540 | 24140848 | O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1 | emolecules | 1.535800291 | |
Mol1541 | 32007436 | Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1 | emolecules | 0.586587305 | |
Mol1542 | 24497238 | O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1 | emolecules | 1.624178926 | |
Mol1543 | 15288168 | O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1 | emolecules | 0.230448921 | |
Mol1544 | 49383511 | O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1 | emolecules | 1.095518042 | |
Mol1545 | 17074465 | CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C | emolecules | 1.650307523 | |
Mol1546 | 31399424 | Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1 | emolecules | 1.798028793 | |
Mol1547 | 13477850 | CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1 | emolecules | 0.620136055 | |
Mol1548 | 27315404 | CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1 | emolecules | 1.95438725 | |
Mol1549 | 198935 | CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1 | emolecules | 1.728150793 | |
Mol1550 | 32106793 | Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1 | emolecules | 0.240549248 | |
Mol1551 | 2853111 | O=C(CC(=O)N1CCCC1)N1CCCC1 | emolecules | 1.486572151 | |
Mol1552 | 53882535 | CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 | emolecules | 1.760949951 | |
Mol1553 | 53882383 | CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 | emolecules | 1.703377369 | |
Mol1554 | 23280366 | COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC | emolecules | 0.826074803 | |
Mol1555 | 36997025 | Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1 | emolecules | 1.737192643 | |
Mol1556 | 189882795 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | emolecules | 1.561101384 | |
Mol1557 | 42968116 | Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1 | emolecules | 1.726156466 | |
Mol1558 | 43571023 | Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C | emolecules | 1.516535374 | |
Mol1559 | 173035 | Cc1noc(C2CCN(CCc3ccccc3)CC2)n1 | emolecules | 1.8049568 | |
Mol1560 | 48347951 | O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1 | emolecules | 1.57818061 | |
Mol1561 | 194348513 | COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2 | emolecules | 1.790285164 | |
Mol1562 | 43242674 | Cc1nc(C2CCNCC2)cc(N(C)C)n1 | emolecules | 1.58546073 | |
Mol1563 | 35771333 | NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCCCC3)cc2)cc1 | emolecules | 1.776773802 | |
Mol1564 | 1436740 | O=C(CCCOc1ccccc1)N1CCCC1 | emolecules | 1.484299839 | |
Mol1565 | 26754987 | CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C | emolecules | 1.482015576 | |
Mol1566 | 31923278 | Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1 | emolecules | 1.094471129 | |
Mol1567 | 32083384 | O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1 | emolecules | 1.030599722 | |
Mol1568 | 4742397 | Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1 | emolecules | 0.912222057 | |
Mol1569 | 35785818 | O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1 | emolecules | 0.613841822 | |
Mol1570 | 35739191 | CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 | emolecules | 0.041392685 | |
Mol1571 | 136115 | CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 | emolecules | 1.07809415 | |
Mol1572 | 31507610 | Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1 | emolecules | 1.633569443 | |
Mol1573 | 32176408 | CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O | emolecules | 1.6642658 | |
Mol1574 | 16021876 | Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1 | emolecules | 0.59439255 | |
Mol1575 | 31835550 | CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1 | emolecules | 1.627160952 | |
Mol1576 | 784983 | O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O | emolecules | 1.736396502 | |
Mol1577 | 36919308 | O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1 | emolecules | 1.597695186 | |
Mol1578 | 48752652 | COc1cc(NC(=O)c2ccc(F)cc2C)ncn1 | emolecules | 1.197556213 | |
Mol1579 | 46073165 | Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1 | emolecules | 1.421932813 | |
Mol1580 | 43137136 | CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1 | emolecules | 1.497482537 | |
Mol1581 | 300958586 | COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1 | emolecules | 1.592620821 | |
Mol1582 | 31364239 | O=C(CC1CCCC1)NCc1nnc2n1CCC2 | emolecules | 1.498586209 | |
Mol1583 | 49155634 | COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1 | emolecules | 1.447623098 | |
Mol1584 | 36322410 | Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2 | emolecules | 1.754806855 | |
Mol1585 | 32419804 | CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1 | emolecules | 1.567849451 | |
Mol1586 | 49985873 | COc1ncccc1CNc1ncnc2c1cnn2C | emolecules | 1.668479103 | |
Mol1587 | 31845870 | C#CCNC(=O)c1ccc2c(c1)OCO2 | emolecules | 1.415474168 | |
Mol1588 | 48262457 | CC(C)(C)c1nccc(NCc2ccncc2)n1 | emolecules | 1.48301642 | |
Mol1589 | 5965122 | CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 | emolecules | 1.271376872 | |
Mol1590 | 300053407 | CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1 | emolecules | 1.8896378 | |
Mol1591 | 36716227 | Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12 | emolecules | 1.707570176 | |
Mol1592 | 206429 | CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1 | emolecules | 1.718501689 | |
Mol1593 | 56767825 | Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1 | emolecules | 1.699490845 | |
Mol1594 | 170720716 | CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2 | emolecules | 1.676327734 | |
Mol1595 | 301191566 | COc1cc2nc(/C=C/c3cocn3)sc2cc1OC | emolecules | 1.092018471 | |
Mol1596 | 36436018 | CCOc1ncccc1-c1nc(C)cc(NC)n1 | emolecules | 1.560504415 | |
Mol1597 | 36582188 | Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1 | emolecules | 1.513483957 | |
Mol1598 | 33360977 | O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1 | emolecules | 1.710709566 | |
Mol1599 | 48547367 | O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2 | emolecules | 1.974741905 | |
Mol1600 | 36966070 | CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1 | emolecules | 1.610660163 | |
Mol1601 | 44503860 | CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 | emolecules | 1.607562243 | |
Mol1602 | 25670537 | O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1 | emolecules | 1.639586087 | |
Mol1603 | 35986106 | Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1 | emolecules | 1.549983611 | |
Mol1604 | 25764019 | CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 | emolecules | 1.133538908 | |
Mol1605 | 43251079 | Cc1cc(C(=O)NCC2CC2)n2nccc2n1 | emolecules | 1.702344358 | |
Mol1606 | 2502094 | Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 | emolecules | 1.752816431 | |
Mol1607 | 136829 | O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 | emolecules | 1.941759814 | |
Mol1608 | 233697 | Cc1cncc(C2CCN(Cc3cnccn3)CC2)n1 | emolecules | 1.831229694 | |
Mol1609 | 31937832 | CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1 | emolecules | 1.740993932 | |
Mol1610 | 1755438 | O=C(CSc1ccc(F)cc1)N1CCCC1 | emolecules | 1.558468563 | |
Mol1611 | 27398627 | O=C(c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2=O)CC1 | emolecules | 1.976945751 | |
Mol1612 | 173261 | O=C(c1ccncc1)N1CCC(c2cnccn2)CC1 | emolecules | 1.786467477 | |
Mol1613 | 25831317 | COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1 | emolecules | 1.59747579 | |
Mol1614 | 201873 | CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C | emolecules | 1.720737977 | |
Mol1615 | 195351193 | O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O | emolecules | 1.80126647 | |
Mol1616 | 36444864 | Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1 | emolecules | 1.269512944 | |
Mol1617 | 1557197 | Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1 | emolecules | 1.700357528 | |
Mol1618 | 151187 | COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1 | emolecules | 0.389166084 | |
Mol1619 | 233948224 | c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1 | emolecules | 1.600537294 | |
Mol1620 | 205729538 | O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21 | emolecules | 0.767897616 | |
Mol1621 | 31618239 | CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1 | emolecules | 1.463146137 | |
Mol1622 | 49323189 | COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F | emolecules | 1.753965866 | |
Mol1623 | 43429664 | CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1 | emolecules | 1.42894429 | |
Mol1624 | 4260882 | CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1 | emolecules | 1.78497371 | |
Mol1625 | 35684679 | COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F | emolecules | 1.492760389 | |
Mol1626 | 35187840 | CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.688864568 | |
Mol1627 | 25833761 | COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O | emolecules | 1.472171147 | |
Mol1628 | 300542889 | Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1 | emolecules | 1.365487985 | |
Mol1629 | 3556269 | CCOc1ccc(Nc2ncccc2C#N)cc1 | emolecules | 0.965201701 | |
Mol1630 | 1532228 | CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC | emolecules | 0.33243846 | |
Mol1631 | 46621726 | Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12 | emolecules | 1.524915148 | |
Mol1632 | 3082542 | N#Cc1ccc(C(=O)Nn2cnnc2)cc1 | emolecules | 1.254789687 | |
Mol1633 | 300427610 | O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1 | emolecules | 1.762378429 | |
Mol1634 | 37468092 | CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O | emolecules | 1.3232521 | |
Mol1635 | 30259021 | Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1 | emolecules | 1.531478917 | |
Mol1636 | 49147251 | Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1 | emolecules | 1.08278537 | |
Mol1637 | 300067076 | C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 | emolecules | 1.330413773 | |
Mol1638 | 2849142 | Clc1ccc2[nH]c(COc3ccccc3)nc2c1 | emolecules | 1.470263447 | |
Mol1639 | 36428656 | COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2 | emolecules | 0.478566496 | |
Mol1640 | 44507485 | CCCCNC(=O)c1ccc2c(c1)nnn2C | emolecules | 1.41564098 | |
Mol1641 | 36677683 | CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21 | emolecules | 1.907250083 | |
Mol1642 | 29610481 | Cc1csc(CCNc2ncccc2C#N)n1 | emolecules | 1.505963518 | |
Mol1643 | 11652931 | c1cnc(NCCc2cccc3cccnc23)nc1 | emolecules | 1.567731963 | |
Mol1644 | 1967628 | Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1 | emolecules | 1.147985321 | |
Mol1645 | 133983 | Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1 | emolecules | 1.758154622 | |
Mol1646 | EN300-6746811 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | enamineBB_pmc | 1.511883361 | |
Mol1647 | 36906224 | N#Cc1cccc(CN2CCN(CCO)CC2)c1 | emolecules | 1.46686762 | |
Mol1648 | 45661335 | O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21 | emolecules | 1.799891685 | |
Mol1649 | 17673270 | CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C | emolecules | 1.668385917 | |
Mol1650 | 31918156 | Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12 | emolecules | 0.728353782 | |
Mol1651 | 36909561 | N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1 | emolecules | 1.577261954 | |
Mol1652 | 27459634 | Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1 | emolecules | 1.643156466 | |
Mol1653 | 1529206 | COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1 | emolecules | 1.352761192 | |
Mol1654 | 50555818 | O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1 | emolecules | 1.810904281 | |
Mol1655 | 300450364 | NCCn1cc(NC(=O)c2ccccc2)cn1 | emolecules | 1.89795681 | |
Mol1656 | 24982873 | Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1 | emolecules | 1.612359948 | |
Mol1657 | 32452682 | CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 | emolecules | 1.994141111 | |
Mol1658 | 25831319 | COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1 | emolecules | 1.608739919 | |
Mol1659 | 3349696 | Cc1ccc(C(=O)Nc2ccccc2C#N)cc1 | emolecules | 1.016197354 | |
Mol1660 | 32256253 | CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1 | emolecules | 0.944975908 | |
Mol1661 | 16235003 | Cc1cccc(NC(=O)c2noc3c2CCCC3)n1 | emolecules | 1.232233521 | |
Mol1662 | 165469 | CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1 | emolecules | 1.22685757 | |
Mol1663 | 300463354 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | emolecules | 0.173186268 | |
Mol1664 | 39442564 | O=C(O)c1cnn(-c2ccncc2)c1C(F)F | emolecules | 1.503654519 | |
Mol1665 | 30186397 | Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1 | emolecules | 1.637989781 | |
Mol1666 | 302616637 | CNCCN1CCC(OCc2ccccc2)CC1 | emolecules | 1.740678425 | |
Mol1667 | 2548417 | c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1 | emolecules | 1.651762447 | |
Mol1668 | 300452667 | CNc1nc(C2CCNCC2)nc2c1CN(C)CC2 | emolecules | 1.559308011 | |
Mol1669 | 2169496 | Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1 | emolecules | 1.496237545 | |
Mol1670 | 49681088 | COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1 | emolecules | 1.596926814 | |
Mol1671 | 32147219 | Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1 | emolecules | 0.396199347 | |
Mol1672 | 31845182 | Cc1ccc(CN(C)Cc2c(C)noc2C)o1 | emolecules | 1.500099192 | |
Mol1673 | 31880304 | CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21 | emolecules | 0.079181246 | |
Mol1674 | 36678221 | CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1 | emolecules | 1.599664779 | |
Mol1675 | Z268463264 | CC(C)c1noc(CN(C)C2CCCC2)n1 | enamineHTS | 1.237040791 | |
Mol1676 | 43248533 | CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1 | emolecules | 1.484157424 | |
Mol1677 | 36971371 | CCCN1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1 | emolecules | 1.693287157 | |
Mol1678 | 43366926 | CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 | emolecules | 1.516204735 | |
Mol1679 | 317409561 | CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21 | emolecules | 1.618048097 | |
Mol1680 | 31602856 | C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1 | emolecules | 1.330413773 | |
Mol1681 | 31603062 | C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 | emolecules | 1.437909036 | |
Mol1682 | 43243249 | NC(=O)C1(CCCc2ccccn2)CCNCC1 | emolecules | 1.587486465 | |
Mol1683 | 177079 | c1cc(CC2CCNCC2)c2cccnc2c1 | emolecules | 1.717920026 | |
Mol1684 | 36949885 | CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 | emolecules | 0.960946196 | |
Mol1685 | 31602076 | COCCN(Cc1cccs1)Cc1cccc(C)c1O | emolecules | 0.021189299 | |
Mol1686 | 25630700 | COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2 | emolecules | 1.727703884 | |
Mol1687 | 49661196 | CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1 | emolecules | 1.452706227 | |
Mol1688 | 41481164 | COc1cccc(NC(=O)C2CNC2)c1 | emolecules | 1.470116353 | |
Mol1689 | 32446589 | Nc1ccnn1Cc1ccc(Cl)c(F)c1 | emolecules | 1.613524703 | |
Mol1690 | 6630605 | Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 | emolecules | 1.059184618 | |
Mol1691 | 29646054 | O=C(O)c1cc(Cl)cc2cccnc12 | emolecules | 1.429429264 | |
Mol1692 | 53882205 | O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1 | emolecules | 1.698535493 | |
Mol1693 | 36965952 | Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1 | emolecules | 0.694605199 | |
Mol1694 | 2866623 | Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O | emolecules | 1.409933123 | |
Mol1695 | 17140003 | Cc1ccccc1NC(=O)CN1C(=O)CCC1=O | emolecules | 1.559547556 | |
Mol1696 | 31342589 | CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1 | emolecules | 1.547159121 | |
Mol1697 | 17272298 | COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1 | emolecules | 1.759063188 | |
Mol1698 | 30493324 | CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1 | emolecules | 1.594282029 | |
Mol1699 | Z1525853439 | C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1 | enamineHTS | 1.632659713 | |
Mol1700 | 36642098 | CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1 | emolecules | 1.633670406 | |
Mol1701 | 29972787 | CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.798305282 | |
Mol1702 | 11881868 | O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 | emolecules | 0.423245874 | |
Mol1703 | 31865260 | CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1 | emolecules | 1.640978057 | |
Mol1704 | 31856394 | CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.507855872 | |
Mol1705 | 3595688 | O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1 | emolecules | 0.62838893 | |
Mol1706 | 18897980 | O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1 | emolecules | 1.77524626 | |
Mol1707 | 36915653 | CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.810568529 | |
Mol1708 | 35736237 | O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.201397124 | |
Mol1709 | 43249213 | CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1 | emolecules | 1.773786445 | |
Mol1710 | 31919222 | Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 | emolecules | 1.538322333 | |
Mol1711 | 31307970 | CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 | emolecules | 0.017033339 | |
Mol1712 | 31414154 | Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 | emolecules | 1.702861171 | |
Mol1713 | 49922974 | Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1 | emolecules | 1.606918526 | |
Mol1714 | 1542490 | Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1 | emolecules | 1.224014811 | |
Mol1715 | MCULE-5706030807 | Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1 | mcule | 1.566437492 | |
Mol1716 | 26398930 | CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O | emolecules | 1.042378598 | |
Mol1717 | 24950891 | CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1 | emolecules | 0.472024698 | |
Mol1718 | 31840778 | Cc1csc(NC(=O)c2cccc(C)c2C)n1 | emolecules | 1.052693942 | |
Mol1719 | 108786180 | CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl | emolecules | 1.384263786 | |
Mol1720 | 290128 | c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1 | emolecules | 1.679609572 | |
Mol1721 | 50282729 | Oc1ccccc1NCc1ccccn1 | emolecules | 1.644241586 | |
Mol1722 | 50428234 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | emolecules | 1.811709027 | |
Mol1723 | 43207477 | CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1 | emolecules | 1.12904506 | |
Mol1724 | 300642067 | C/N=C(\NC#N)NCCSCc1nc[nH]c1C | emolecules | 1.619093331 | |
Mol1725 | 132777 | Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1 | emolecules | 1.744605875 | |
Mol1726 | 36951485 | Cc1nnc(-c2cccc(C(=O)O)c2)o1 | emolecules | 1.536432176 | |
Mol1727 | 31389014 | O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1 | emolecules | 1.392696953 | |
Mol1728 | 43203667 | Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1 | emolecules | 1.746166964 | |
Mol1729 | 49356071 | Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1 | emolecules | 1.508529719 | |
Mol1730 | 32103356 | O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1 | emolecules | 0.63447727 | |
Mol1731 | 48257407 | CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 | emolecules | 1.430719888 | |
Mol1732 | 13534140 | CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.461648568 | |
Mol1733 | 43243426 | Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1 | emolecules | 1.613101517 | |
Mol1734 | 27408738 | CCC(CC)NC(=O)c1ccc(C#N)c(C)n1 | emolecules | 1.723783937 | |
Mol1735 | 13745784 | Cc1cc(Oc2cnccn2)ccc1N | emolecules | 1.340444115 | |
Mol1736 | 11001802 | CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1 | emolecules | 0.008600172 | |
Mol1737 | 43388580 | CCc1cnc(CCNc2cncc(Cl)n2)s1 | emolecules | 1.68115075 | |
Mol1738 | 709471 | Cc1cccc(OCCn2c(N)nc3ccccc32)c1 | emolecules | 1.592398846 | |
Mol1739 | 36638297 | O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1 | emolecules | 1.329397879 | |
Mol1740 | 29781681 | C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 | emolecules | 0.58546073 | |
Mol1741 | 481632 | O=C(Nc1ccccc1)Nc1ccccc1 | emolecules | 0.591064607 | |
Mol1742 | 5849808 | Cc1noc(-c2ccccc2C(=O)O)n1 | emolecules | 1.54740546 | |
Mol1743 | 53744421 | C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 | emolecules | 0.58546073 | |
Mol1744 | 24057354 | Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 | emolecules | 1.498310554 | |
Mol1745 | 11915833 | O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1 | emolecules | 1.633165354 | |
Mol1746 | 43144048 | c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1 | emolecules | 0.661812686 | |
Mol1747 | 43568757 | CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1 | emolecules | 1.465382851 | |
Mol1748 | 44572745 | CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1 | emolecules | 1.722387094 | |
Mol1749 | 31314015 | O=C(Nc1cccc2cnccc12)c1cccc(F)c1 | emolecules | 1.677880582 | |
Mol1750 | 31415571 | NCc1ccc(Oc2ccccc2)nc1 | emolecules | 1.342422681 | |
Mol1751 | 25743157 | O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 | emolecules | 1.305351369 | |
Mol1752 | 148373 | Nc1cnn(CC(=O)N2CCCCC2)c1 | emolecules | 1.561339941 | |
Mol1753 | 148377 | Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 | emolecules | 1.73239376 | |
Mol1754 | 31507575 | CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O | emolecules | 1.97482245 | |
Mol1755 | 211163 | Cc1noc(C2CCN(CC(N)=O)CC2)n1 | emolecules | 1.48784512 | |
Mol1756 | 33347723 | CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 | emolecules | 1.764549719 | |
Mol1757 | 44195804 | COc1cc2c(c(OC)c1OC)CCNC(=O)C2 | emolecules | 1.695744275 | |
Mol1758 | 13335623 | Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12 | emolecules | 1.511883361 | |
Mol1759 | 299973262 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O | emolecules | 1.716587578 | |
Mol1760 | 35398784 | O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.678973376 | |
Mol1761 | 36625873 | O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | emolecules | 1.697665163 | |
Mol1762 | 25920543 | Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 | emolecules | 0.712649702 | |
Mol1763 | 32382804 | Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1 | emolecules | 0.984527313 | |
Mol1764 | 31941417 | COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O | emolecules | 1.714497409 | |
Mol1765 | 20463097 | CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 | emolecules | 1.695043659 | |
Mol1766 | 2918333 | O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1 | emolecules | 1.529558673 | |
Mol1767 | 44583076 | CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1 | emolecules | 1.738780558 | |
Mol1768 | 48289546 | O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1 | emolecules | 1.653694795 | |
Mol1769 | 36912194 | O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1 | emolecules | 1.725911632 | |
Mol1770 | 31933956 | O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1 | emolecules | 1.758533422 | |
Mol1771 | 27421106 | O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1 | emolecules | 1.696793085 | |
Mol1772 | 36920058 | O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1 | emolecules | 1.691965103 | |
Mol1773 | 53794989 | CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1 | emolecules | 1.739967697 | |
Mol1774 | 24009089 | CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1 | emolecules | 0.929418926 | |
Mol1775 | 32051640 | CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1 | emolecules | 1.613101517 | |
Mol1776 | 3613873 | Cc1ccc(NC(=O)c2cccc3cccnc23)cc1 | emolecules | 0.755874856 | |
Mol1777 | 300480947 | Cc1cnn(Cc2cc(F)ccc2F)c1N | emolecules | 1.615318657 | |
Mol1778 | 1530520 | CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC | emolecules | 1.356599436 | |
Mol1779 | 29692309 | O=C(Cn1ccnc1)NCc1ccccc1F | emolecules | 1.688063697 | |
Mol1780 | 48294074 | C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1 | emolecules | 1.867762025 | |
Mol1781 | 14013478 | Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1 | emolecules | 0.462397998 | |
Mol1782 | 11848563 | CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1 | emolecules | 0.695481676 | |
Mol1783 | 23567667 | CC(C)CCNC(=O)c1ccc2ccccc2n1 | emolecules | 0.862131379 | |
Mol1784 | Z57030609 | Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 | enamineHTS | 1.301247089 | |
Mol1785 | 64087666 | Nc1nccc2ccc(-c3cccc(F)c3)cc12 | emolecules | 0.477121255 | |
Mol1786 | 29912597 | Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1 | emolecules | 0.73239376 | |
Mol1787 | 43239399 | COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1 | emolecules | 1.167317335 | |
Mol1788 | 1523511 | c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 | emolecules | 1.265053789 | |
Mol1789 | 17208942 | Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1 | emolecules | 0.876217841 | |
Mol1790 | 11984736 | CCONC(=O)Cc1coc2c(C)c(C)ccc12 | emolecules | 1.534026106 | |
Mol1791 | 36641926 | O=C(NCc1cccc(O)c1)Nc1ccccc1F | emolecules | 1.561578368 | |
Mol1792 | 42892471 | O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1 | emolecules | 1.67660217 | |
Mol1793 | 36984206 | N#CC1(NC(=O)C2CCCCCC2)CC1 | emolecules | 1.523095838 | |
Mol1794 | 48389141 | Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1 | emolecules | 1.62930764 | |
Mol1795 | 158121 | CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2 | emolecules | 1.876275589 | |
Mol1796 | 25833607 | CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21 | emolecules | 0.73479983 | |
Mol1797 | 305998 | Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C | emolecules | 1.827756863 | |
Mol1798 | 1425817 | Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1 | emolecules | 1.672651923 | |
Mol1799 | 24482363 | Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1 | emolecules | 0.903089987 | |
Mol1800 | 29590270 | Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1 | emolecules | 1.603360924 | |
Mol1801 | 24068400 | Cc1cc(F)ccc1NC(=O)Cn1cncn1 | emolecules | 1.545925329 | |
Mol1802 | 44501604 | Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1 | emolecules | 1.338456494 | |
Mol1803 | 18911336 | Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1 | emolecules | 1.635282638 | |
Mol1804 | 15278030 | CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O | emolecules | 1.855519156 | |
Mol1805 | 301138918 | CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1 | emolecules | 0.278753601 | |
Mol1806 | 651871 | O=C(Nc1ccccn1)c1cccc2ccccc12 | emolecules | 1.547282308 | |
Mol1807 | 11843268 | O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1 | emolecules | 1.735199548 | |
Mol1808 | 43241188 | CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1 | emolecules | 1.704150517 | |
Mol1809 | 33306737 | CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C | emolecules | 1.606596309 | |
Mol1810 | 24023919 | O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1 | emolecules | 0.531478917 | |
Mol1811 | 32148661 | Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1 | emolecules | 0.602059991 | |
Mol1812 | 114311622 | CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 | emolecules | 0.367355921 | |
Mol1813 | 43062484 | CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12 | emolecules | 1.251881455 | |
Mol1814 | 32442245 | Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 | emolecules | 0.701567985 | |
Mol1815 | 48286812 | CONC(=O)c1cn(-c2ccc(Br)cc2)cn1 | emolecules | 1.803525396 | |
Mol1816 | 39607578 | CC1(C(=O)O)CCN(Cc2ccccc2)CC1 | emolecules | 1.652633068 | |
Mol1817 | 49654440 | CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1 | emolecules | 1.56549363 | |
Mol1818 | 49170720 | COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1 | emolecules | 1.396199347 | |
Mol1819 | 98851007 | O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1 | emolecules | 1.792741786 | |
Mol1820 | 31873288 | O=C(NCCc1cccc2cccnc12)C1CCCCC1 | emolecules | 1.620136055 | |
Mol1821 | 3679689 | CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1 | emolecules | 0.086359831 | |
Mol1822 | 211165 | Cc1nc(C2CCN(CC(N)=O)CC2)no1 | emolecules | 1.787956123 | |
Mol1823 | 249327 | CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O | emolecules | 1.920645001 | |
Mol1824 | 43609942 | O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1 | emolecules | 0.643452676 | |
Mol1825 | 30235118 | CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1 | emolecules | 0.742725131 | |
Mol1826 | 36912024 | COc1ccc(N)cc1N1CCOC1=O | emolecules | 1.508395033 | |
Mol1827 | 31593140 | CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-] | emolecules | 1.103803721 | |
Mol1828 | 44786295 | COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1 | emolecules | 1.482158695 | |
Mol1829 | 31987284 | COc1ncccc1NC(=O)c1cccc(C)n1 | emolecules | 1.378034322 | |
Mol1830 | 48765010 | O=C(NCc1ccc(O)cc1)Nc1ccncc1F | emolecules | 1.577836341 | |
Mol1831 | 44388966 | N#Cc1cccc(CN2CCOC[C@H](O)C2)c1 | emolecules | 1.324488233 | |
Mol1832 | 29983738 | NC(=O)CN1CCC(CCc2ccccc2)CC1 | emolecules | 1.616265405 | |
Mol1833 | 13470326 | O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 | emolecules | 0.389166084 | |
Mol1834 | 27411338 | COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 | emolecules | 1.666705136 | |
Mol1835 | 30429483 | Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1 | emolecules | 1.680335513 | |
Mol1836 | 44556723 | COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F | emolecules | 1.642860053 | |
Mol1837 | 11997363 | c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1 | emolecules | 1.707229419 | |
Mol1838 | 1365625 | CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | emolecules | 1.103119254 | |
Mol1839 | 35765805 | CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1 | emolecules | 1.897682062 | |
Mol1840 | 31248478 | COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1 | emolecules | 1.579326204 | |
Mol1841 | 32030866 | N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1 | emolecules | 0.57054294 | |
Mol1842 | 168943 | COCc1nc(C2CCN(CCO)CC2)no1 | emolecules | 1.557507202 | |
Mol1843 | 27399139 | CN(CCC#N)Cc1cc(C#N)ccc1F | emolecules | 1.496929648 | |
Mol1844 | 31856887 | Cc1cccnc1NC(=O)CCc1ccc(F)cc1 | emolecules | 1.580468784 | |
Mol1845 | 42850492 | COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 | emolecules | 0.498310554 | |
Mol1846 | 341502 | CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 | emolecules | 1.859738566 | |
Mol1847 | 1937768 | CC(=O)N1c2ccccc2C[C@H]1C(=O)O | emolecules | 1.525951341 | |
Mol1848 | Z2894086919 | C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O | enamineHTS | 1.422835969 | |
Mol1849 | 16659955 | O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1 | emolecules | 1.541953474 | |
Mol1850 | 48348017 | Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21 | emolecules | 1.856608068 | |
Mol1851 | 16772089 | Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C | emolecules | 1.776846409 | |
Mol1852 | 1933679 | O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2 | emolecules | 1.706290957 | |
Mol1853 | 49297131 | COc1ccc(CN(C)c2ncncc2Br)cc1O | emolecules | 1.74530906 | |
Mol1854 | 45769340 | O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1 | emolecules | 1.743509765 | |
Mol1855 | 35736059 | COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2 | emolecules | 1.004751156 | |
Mol1856 | 43125801 | Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 | emolecules | 1.410608543 | |
Mol1857 | 46063745 | COc1ccc(CCCNc2nnc(C)o2)cc1 | emolecules | 1.405517107 | |
Mol3057 | 324053897 | CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)nc2O1 | emolecules | -0.15490196 | |
Mol3058 | 324071116 | N#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F | emolecules | 1.820201459 | |
Mol3067 | 15987806 | CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)n2n1 | emolecules | 1.64246452 | |
Mol3068 | 316754033 | COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1 | emolecules | -1.0 | |
Mol3069 | 139727 | NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2cccc(F)c2)CC1 | emolecules | 1.799340549 | |
Mol3070 | 474380 | CC(=O)Nc1ccc(O)cc1 | emolecules | 1.442479769 | |
Mol3084 | 5466232 | Cc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 | emolecules | -0.045757491 | |
Mol3085 | 300626032 | Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1 | emolecules | -0.698970004 | |
Mol3087 | 324058573 | N#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)c(F)c1 | emolecules | 1.117271296 | |
Mol3089 | 3546237 | O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-n2cnnn2)cc1 | emolecules | -0.022276395 | |
Mol3090 | LN01305977 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | labnetworkBB | 1.183839037 | |
Mol3091 | 313833267 | Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1 | emolecules | 1.556423121 | |
Mol3092 | 32176418 | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F | emolecules | -0.455931956 | |
Mol3117 | 1521515 | COc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1 | emolecules | -0.744727495 | |
Mol3118 | 43021930 | CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C)[nH]n1 | emolecules | -0.585026652 | |
Mol3119 | 35695446 | O=C(Nc1ccc(Cl)cn1)C1(c2cccc(Cl)c2)CC1 | emolecules | -0.48148606 | |
Mol3120 | 36747881 | Cc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1 | emolecules | -0.070581074 | |
Mol3121 | 27042311 | COc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12 | emolecules | -0.346787486 | |
Mol3122 | 25835159 | O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(O)cc1O | emolecules | -0.070581074 | |
Mol3123 | 95699457 | O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O | emolecules | -0.045757491 | |
Mol3124 | 3112768 | N#Cc1ccc(COc2cnc3ccccc3n2)cc1 | emolecules | -0.721246399 | |
Mol3125 | 4731245 | COc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 | emolecules | -0.455931956 | |
Mol3126 | 11326025 | CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl | emolecules | -0.657577319 | |
Mol3127 | 85147600 | CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1 | emolecules | 1.58591171 | |
Mol3128 | 11826916 | Nc1nc2c3ccccc3oc2c2ccccc12 | emolecules | -0.602059991 | |
Mol3129 | 7683299 | COc1ccccc1N1CCN(c2nc(-c3ccc(C)cc3)cc(=O)[nH]2)CC1 | emolecules | -0.698970004 | |
Mol3130 | 3473190 | c1ccc(Cc2ccccc2-c2nnc(-c3cccnc3)o2)cc1 | emolecules | -0.657577319 | |
Mol3131 | 60174709 | Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 | emolecules | -0.397940009 | |
Mol3132 | 1548054 | Cc1ccc(NC(=O)c2c([O-])n(-c3ccc(C)cc3)n[n+]2Cc2ccccc2)cc1 | emolecules | -0.677780705 | |
Mol3133 | 29676888 | N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1 | emolecules | -0.769551079 | |
Mol3134 | 50282751 | CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1 | emolecules | -0.013228266 | |
Mol3135 | 49205553 | O=C1/C(=C2/CCCCCN2)C(Nc2ccccc2)=NN1c1ccccc1 | emolecules | -0.26760624 | |
Mol3136 | 31348116 | Fc1cccc(Cn2nnc(-c3ccccc3)n2)c1F | emolecules | -1.0 | |
Mol3137 | 29703212 | O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 | emolecules | -0.387216143 | |
Mol3138 | 45712854 | CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 | emolecules | -0.346787486 | |
Mol3139 | 44554243 | CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1(C#N)CCC1 | emolecules | -0.657577319 | |
Mol3140 | 43423042 | COc1ccc(C(C)(C)C)cc1NC(=O)C1(C#N)CCCC1 | emolecules | -0.522878745 | |
Mol3141 | 6922052 | CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 | emolecules | -0.602059991 | |
Mol3142 | 31326902 | Cc1cc(F)ccc1NC(=O)c1cccc2cccnc12 | emolecules | -0.356547324 | |
Mol3143 | 1590696 | CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 | emolecules | -0.397940009 | |
Mol3144 | 13509338 | Cc1cc(C)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c(C)c1 | emolecules | -0.113509275 | |
Mol3145 | 2500471 | Cc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1 | emolecules | -0.552841969 | |
Mol3146 | 17125201 | COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2cc1OC | emolecules | -0.522878745 | |
Mol3147 | 1069906 | Cc1oc2cc(OCC(=O)Nc3nccs3)ccc2c(=O)c1Oc1ccc(F)cc1 | emolecules | -0.301029996 | |
Mol3148 | 89940865 | N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1 | emolecules | -0.148741651 | |
Mol3149 | 44811452 | Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1 | emolecules | -0.187086643 | |
Mol3150 | 36516782 | FC(F)(F)c1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)ccc3[nH]2)cc1 | emolecules | -0.455931956 | |
Mol3151 | 32611176 | CCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 | emolecules | -0.055517328 | |
Mol3152 | 1545812 | Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)c1-n1cnnn1 | emolecules | 1.2509077 | |
Mol3153 | 45657759 | O=C(Nc1nncs1)c1ccc(N2CCC3(CCCCC3)C2)nc1 | emolecules | -0.180456064 | |
Mol3154 | 4759628 | COc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1 | emolecules | -0.698970004 | |
Mol3155 | 104389046 | Cc1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)ccc1Cl | emolecules | -0.065501549 | |
Mol3156 | 50282148 | CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1 | emolecules | -0.045757491 | |
Mol3157 | 2017461 | O=C(Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 | emolecules | -0.096910013 | |
Mol3158 | 17120607 | NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 | emolecules | -0.602059991 | |
Mol3159 | 31362621 | COc1ccc2nc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1 | emolecules | -0.823908741 | |
Mol3160 | 2266063 | Cc1cccc2sc(NC(=O)c3cccnc3)nc12 | emolecules | -0.283996656 | |
Mol3161 | 33351514 | Cc1ccc(C(N)=O)c(OCc2c(Cl)ccc3cccnc23)c1 | emolecules | -0.214670165 | |
Mol3162 | 30426287 | O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21 | emolecules | 0.762678564 | |
Mol3163 | 36986676 | CN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1 | emolecules | -0.552841969 | |
Mol3164 | 35281979 | Cc1cc2ccccc2n1CC(=O)N(C)Cc1cnn(C)c1 | emolecules | 1.67651071 | |
Mol3165 | 4338859 | c1ccc2c(c1)nnn2Cc1ccc2c(c1)OCO2 | emolecules | -0.017728767 | |
Mol3166 | 207509 | O=C(CCOc1ccccc1)N1CCCC(c2n[nH]cc2-c2ccc(Cl)cc2)C1 | emolecules | -0.096910013 | |
Mol3167 | 5514558 | O=C(Nc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 | emolecules | -0.585026652 | |
Mol3168 | 49265702 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | emolecules | 1.623042434 | |
Mol3169 | 3110901 | Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 | emolecules | -0.37675071 | |
Mol3170 | 16219171 | Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1 | emolecules | -0.48148606 | |
Mol3171 | 89942329 | Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 | emolecules | -0.744727495 | |
Mol3172 | 7687079 | COc1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1OC | emolecules | -0.721246399 | |
Mol3173 | 412756 | COc1ccc(-c2nnc3nn(C)c(=O)n3c2-c2ccc(OC)cc2)cc1 | emolecules | -0.602059991 | |
Mol3174 | 3573849 | COc1ccc(-c2csc(CC(N)=O)n2)cc1 | emolecules | 1.495544338 | |
Mol3175 | 26239500 | CNC(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 | emolecules | -0.119186408 | |
Mol3176 | 1530850 | CCOC(=O)c1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1 | emolecules | -0.161150909 | |
Mol3177 | 3301248 | Cc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1 | emolecules | -0.677780705 | |
Mol3178 | 316762184 | COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(Cl)cccc3Cl)c1C2=O | emolecules | -0.537602002 | |
Mol3179 | 43495449 | O=c1[nH]c2nc(N3CCc4ccccc4C3)ncc2c(=O)n1-c1ccccc1 | emolecules | -0.698970004 | |
Mol3180 | 11480136 | COc1ccccc1-n1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C | emolecules | -0.091514981 | |
Mol3181 | 43068693 | COCc1noc(-c2ccc(-c3cc(C)cc(C)c3)nc2)n1 | emolecules | -0.677780705 | |
Mol3182 | 36989933 | Oc1cccc(/C=C/c2nc3ccccc3o2)c1 | emolecules | -0.15490196 | |
Mol3183 | 84836387 | Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl | emolecules | -0.721246399 | |
Mol3184 | 50285533 | C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C | emolecules | -0.522878745 | |
Mol3185 | 64016648 | CN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccccc1 | emolecules | -0.455931956 | |
Mol3186 | 7695671 | Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 | emolecules | -0.387216143 | |
Mol3187 | 31855457 | Cc1ccc(-c2csc(CC(N)=O)n2)cc1C | emolecules | 1.55448916 | |
Mol3188 | 1545904 | CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc21 | emolecules | -0.356547324 | |
Mol3189 | 195793 | Cc1cccc(Nc2ccc(C3CCN(C(=O)c4cc5cc(F)ccc5n4C)CC3)nc2)n1 | emolecules | -0.721246399 | |
Mol3190 | 29586826 | CC(C)C(=O)Nc1ncc(-c2ccccc2)s1 | emolecules | -0.259637311 | |
Mol3191 | 11930272 | Cc1cc(C)c(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)c1 | emolecules | -0.920818754 | |
Mol3192 | 1548060 | O=C(Nc1ccccc1)c1c([O-])n(-c2ccccc2)n[n+]1Cc1ccccc1 | emolecules | -0.698970004 | |
Mol3193 | 36635336 | CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1 | emolecules | 1.764699064 | |
Mol3194 | 1152113 | COc1ccc(OCc2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 | emolecules | -0.698970004 | |
Mol3195 | 313516125 | N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1 | emolecules | 0.322219295 | |
Mol3196 | 300964829 | Cn1cc(-c2ccnc(/C=C/c3ccc(F)cc3Br)n2)cn1 | emolecules | -0.167491087 | |
Mol3197 | 2461065 | Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 | emolecules | -0.301029996 | |
Mol3198 | 5736788 | Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)cn23)n(C)c1=O | emolecules | -0.040958608 | |
Mol3199 | 6670067 | NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)c1 | emolecules | -0.619788758 | |
Mol3200 | 11480248 | Cc1nc(Nc2ccc(F)cc2)nc2c1ncn2-c1ccc(F)cc1 | emolecules | -0.853871964 | |
Mol3201 | 44466255 | CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1 | emolecules | -0.148741651 | |
Mol3202 | 27448904 | Fc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1 | emolecules | -0.920818754 | |
Mol3203 | 45753290 | Cc1nnc(-c2ccccc2NCc2ccsc2)o1 | emolecules | -0.031517051 | |
Mol3204 | 300962268 | Fc1ccc(-n2cc(/C=C/c3ccnnc3)nn2)cc1Cl | emolecules | -0.568636236 | |
Mol3205 | 32146291 | Cc1cc(C(=O)NC2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)on1 | emolecules | -0.017728767 | |
Mol3206 | 5736794 | Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1-c1ccccc1O | emolecules | -0.721246399 | |
Mol3207 | 3665537 | Cc1sc2ncnc(OCC(=O)Nc3ccc4c(c3)OCO4)c2c1C | emolecules | -0.585026652 | |
Mol3208 | 17107056 | O=c1c2cc(OCc3ccc(Cl)cc3)ccc2nc2n1CCCCC2 | emolecules | -0.420216403 | |
Mol3209 | 2944765 | COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1 | emolecules | -0.823908741 | |
Mol3210 | 49672228 | CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCCC3)n2)c1 | emolecules | -0.15490196 | |
Mol3211 | 6666291 | COc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1 | emolecules | -0.045757491 | |
Mol3212 | 1542039 | CCc1nnc2c3ccccc3nc(Nc3ccc(OC)cc3)n12 | emolecules | -0.853871964 | |
Mol3213 | 205729574 | O=S(=O)(c1ccccc1Cl)N1CCCc2cnc(N3CCOCC3)nc21 | emolecules | 0.0 | |
Mol3214 | 24667669 | COc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 | emolecules | -0.568636236 | |
Mol3215 | 43488186 | Cc1ccc2[nH]c(C3CN(C(=O)Cc4cccc5ccccc45)C3)nc2c1 | emolecules | -0.522878745 | |
Mol3216 | 48974948 | Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1 | emolecules | -0.455931956 | |
Mol3217 | 46024440 | C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3c(N)ncnc32)C1 | emolecules | -0.769551079 | |
Mol3218 | 334892 | COc1ccc(-c2[nH]c3ncccc3c2CN(C)CCOc2ccccc2OC)cc1 | emolecules | -0.522878745 | |
Mol3219 | 261265236 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 | emolecules | 1.905256049 | |
Mol3220 | 11005871 | CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCO3)cc1 | emolecules | -0.356547324 | |
Mol3221 | 320383153 | CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1 | emolecules | -0.397940009 | |
Mol3222 | 72972985 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | emolecules | -0.853871964 | |
Mol3223 | 1498988 | Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(N)=O | emolecules | -0.795880017 | |
Mol3224 | 320548501 | CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 | emolecules | -0.187086643 | |
Mol3225 | 3416569 | Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1 | emolecules | -0.585026652 | |
Mol3226 | 32785616 | CCCCOc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1 | emolecules | -0.698970004 | |
Mol3227 | 1542057 | c1ccc(CNc2nn3nnnc3c3ccccc23)cc1 | emolecules | -1.0 | |
Mol3228 | 1512339 | COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 | emolecules | 1.193124598 | |
Mol3229 | 43371947 | CS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc(F)cc2)C1 | emolecules | -0.431798276 | |
Mol3230 | 25002955 | Cc1cc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)no1 | emolecules | -0.522878745 | |
Mol3231 | 48750876 | COC(=O)[C@@H]1C[C@H](O)CN1CC#Cc1ccc(Cl)cc1 | emolecules | 1.50242712 | |
Mol3232 | 23998591 | Cc1ccsc1C(=O)Nc1nc2ccccc2s1 | emolecules | -0.537602002 | |
Mol3233 | 36334458 | CCC(=O)Nc1cccc(C(=O)N2CCN(C)Cc3ccccc32)c1 | emolecules | -0.698970004 | |
Mol3234 | 48297162 | C1CCN(c2nc(NC3CC3)nc(N3CCCCC3)n2)CC1 | emolecules | -0.207608311 | |
Mol3235 | 11001656 | Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2)o1 | emolecules | -0.431798276 | |
Mol3236 | 312262 | CCOc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)cc1 | emolecules | -0.408935393 | |
Mol3237 | 3330721 | CSCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 | emolecules | -0.431798276 | |
Mol3238 | 36304724 | Cc1cccc(CNc2cccc3c2CCN(S(C)(=O)=O)C3)c1 | emolecules | -0.455931956 | |
Mol3239 | 1516596 | Cc1ccc(C(=O)COC(=O)c2cc(O)nc3ccccc23)cc1 | emolecules | -0.161150909 | |
Mol3240 | 1548090 | COc1cccc(NC(=O)c2c([O-])n(-c3cccc(OC)c3)n[n+]2C)c1 | emolecules | -0.721246399 | |
Mol3241 | 14371708 | CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 | emolecules | -0.657577319 | |
Mol3242 | 134495 | O=C(Cn1cccc(C(=O)Nc2cccc(-n3cccn3)c2)c1=O)NC1CCCCC1 | emolecules | -0.096910013 | |
Mol3243 | 30270890 | Oc1ccc(-c2noc(C3CC3)n2)cc1 | emolecules | 1.689752696 | |
Mol3244 | 8049874 | c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1 | emolecules | -0.537602002 | |
Mol3245 | 43021928 | CCCCOc1ccccc1-c1cc(C(=O)NCCc2cccs2)[nH]n1 | emolecules | -0.431798276 | |
Mol3246 | 33339030 | O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-n2cncn2)cc1 | emolecules | -0.744727495 | |
Mol3247 | 1557473 | COc1cc(OC)cc(-n2c(S)nnc2COc2cccc3ccccc23)c1 | emolecules | -0.552841969 | |
Mol3248 | 44113727 | Cc1ccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 | emolecules | -0.420216403 | |
Mol3249 | 16154631 | O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1Cl | emolecules | -0.431798276 | |
Mol3250 | 30569846 | Cc1ccc(Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)cc1 | emolecules | -0.455931956 | |
Mol3251 | 29665183 | COc1cccc(-c2nnn(Cc3cc(F)cc4cccnc34)n2)c1 | emolecules | -0.853871964 | |
Mol3252 | 3030747 | CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)cc1 | emolecules | -0.346787486 | |
Mol3253 | 44811297 | CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 | emolecules | -0.522878745 | |
Mol3254 | 55540581 | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1 | emolecules | -0.698970004 | |
Mol3255 | 3476517 | O=C(Nc1nc(-c2cccnc2)cs1)C1CCCCC1 | emolecules | -0.677780705 | |
Mol3256 | 1557497 | COc1cccc(-n2c(S)nnc2COc2cccc3ccccc23)c1 | emolecules | -0.585026652 | |
Mol3257 | 1487936 | N#Cc1cc2c(nc1SCc1cccnc1)CCCCCC2 | emolecules | -0.657577319 | |
Mol3258 | 44466340 | N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1 | emolecules | -0.283996656 | |
Mol3259 | 37153210 | Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1 | emolecules | -0.119186408 | |
Mol3260 | 194299 | CN(C)S(=O)(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 | emolecules | -0.823908741 | |
Mol3261 | 205729567 | Cc1cc(F)ccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21 | emolecules | -0.508638306 | |
Mol3262 | 2200204 | CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1 | emolecules | 1.07371835 | |
Mol3263 | 31954911 | CS(=O)(=O)Cc1cc(-c2ccccc2)on1 | emolecules | 1.496098992 | |
Mol3264 | 3613222 | Cc1ccc(C)c(CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 | emolecules | 0.243038049 | |
Mol3265 | Z346231396 | COCc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 | enamineHTS | 0.56937391 | |
Mol3266 | 2081733 | O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 | emolecules | -0.301029996 | |
Mol3267 | 3021139 | N#Cc1c(N2CCCC2)oc2nc3ccccc3nc12 | emolecules | -0.522878745 | |
Mol3268 | 37757000 | NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 | emolecules | 2.154576117 | |
Mol3269 | 300145762 | NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 | emolecules | 2.018076064 | |
Mol3270 | 24501728 | Cc1nnc(NC(C2CC2)C2CC2)c(C#N)c1C | emolecules | 0.877371346 | |
Mol3271 | 32155293 | Cc1ccnc(NC(=O)C2CCN(CCc3cccs3)CC2)c1 | emolecules | 1.816440168 | |
Mol3272 | 32126559 | c1cncc(-c2ccnn2CN2CCOCC2)c1 | emolecules | 1.239049093 | |
Mol3273 | 479721 | Brc1cnc2ccccc2c1 | emolecules | -0.033858267 | |
Mol3274 | Z1513845811 | COc1cc(/C=C/c2nccc(C#N)n2)ccc1F | enamineHTS | 0.514547753 | |
Mol3275 | 901372 | CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 | emolecules | 0.565257343 | |
Mol3276 | 49325161 | Cc1cnc(CS(=O)(=O)C2CCCC2)cn1 | emolecules | 1.558708571 | |
Mol3277 | 32103274 | Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C4CC4)n[nH]3)cnc12 | emolecules | 0.916980047 | |
Mol3278 | 4260356 | CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2ccc(Cl)cc2)c1=O | emolecules | -0.397940009 | |
Mol3279 | LN01342050 | CNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1cccc(CN(C)C)c1)c1ccccc1 | labnetworkBB | 0.923761961 | |
Mol3280 | 32106376 | CCc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[nH]n1 | emolecules | 1.199480915 | |
Mol3281 | 49945650 | N#Cc1ncn(Cc2ncc(-c3ccccc3)s2)c1C#N | emolecules | 1.647871765 | |
Mol3282 | 32099136 | CC(C)c1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)[nH]n1 | emolecules | 0.813580989 | |
Mol3283 | 2096217 | O=C(Nc1nc2ccccc2[nH]1)C1CCCO1 | emolecules | 1.550228353 | |
Mol3284 | 5771094 | Cc1ccc(N/N=C2\C(=O)N(C)N=C2Nc2ccccc2Cl)cc1 | emolecules | -0.301029996 | |
Mol3285 | 2946884 | O=c1[nH]c2cc3ccccc3c(=O)n2c2sc3c(c12)CCCC3 | emolecules | 1.180699201 | |
Mol3286 | 27420474 | Cn1ccnc1COc1ccc(CO)cc1 | emolecules | 1.758760544 | |
Mol3287 | 16166902 | CCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O | emolecules | -0.301029996 | |
Mol3288 | 5846657 | C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 | emolecules | 1.789580712 | |
Mol3289 | 11015002 | CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1 | emolecules | 1.904607364 | |
Mol3290 | 36965686 | Cc1noc2ncc(-c3nnc(CC(C)(C)C)o3)cc12 | emolecules | 1.57599562 | |
Mol3291 | 31839366 | CCOc1ncccc1C(=O)Nc1sccc1C#N | emolecules | 0.053078443 | |
Mol3292 | 594916 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | emolecules | -0.15490196 | |
Mol3293 | 42854702 | COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 | emolecules | -0.045757491 | |
Mol3294 | 43242453 | CNc1cc(CC2CCNCC2)ncn1 | emolecules | 1.486005186 | |
Mol3295 | 44847961 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)CO)C2 | emolecules | -0.091514981 | |
Mol3296 | 1524202 | CCOc1ccccc1N/C=C1\C(=O)Oc2ccccc2C1=O | emolecules | -0.180456064 | |
Mol3297 | 300053766 | CCN(CC)CCCNc1c2c(nc3ccccc13)CCC2 | emolecules | 1.405687787 | |
Mol3298 | 29637253 | O=C(NCC(F)(F)F)c1ccncc1 | emolecules | 1.487138375 | |
Mol3299 | 13503486 | O=C(Cc1cccc2ccccc12)NCc1ccc(N2CCCC2=O)cc1 | emolecules | 1.149834697 | |
Mol3300 | 49383805 | O=C(O)c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 | emolecules | -0.004364805 | |
Mol3301 | 25015731 | CCOC(=O)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)OC)ccc32)cc1 | emolecules | -0.080921908 | |
Mol3302 | 13737628 | O=C(CC1CCCC1)NCc1ccncc1 | emolecules | 1.763278211 | |
Mol3303 | 11990125 | Cc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1 | emolecules | -0.537602002 | |
Mol3304 | 11847209 | CCOC(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 | emolecules | 1.750354089 | |
Mol3305 | 937720 | C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1 | emolecules | 0.350248018 | |
Mol3306 | 25015723 | COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | emolecules | -0.045757491 | |
Mol3307 | 17658212 | O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 | emolecules | -0.086186148 | |
Mol3308 | 45728237 | Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cc3n2CCn2c(C)ccc2-3)cc1 | emolecules | 1.519827994 | |
Mol3309 | 832087 | O=C(O)Cc1nc2ccccc2[nH]1 | emolecules | 1.002166062 | |
Mol3310 | 48256995 | Fc1ccc2oc(Cn3nnc(-c4ccsc4)n3)nc2c1 | emolecules | 1.480581787 | |
Mol3311 | 1179152 | CC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 | emolecules | -0.27572413 | |
Mol3312 | 38975490 | NCCOc1cccc(C(F)(F)F)n1 | emolecules | 1.337459261 | |
Mol3313 | 1949866 | N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F | emolecules | -0.721246399 | |
Mol3314 | 104336542 | O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3 | emolecules | -0.102372909 | |
Mol3315 | 858823 | N#Cc1cnn(-c2ccc(F)cc2)c1N | emolecules | 1.46478752 | |
Mol3316 | 3368117 | N#Cc1ccsc1NC(=O)c1ccccn1 | emolecules | 0.771587481 | |
Mol3317 | 48249638 | CN(Cc1sccc1Br)c1nccnc1C#N | emolecules | 0.929418926 | |
Mol3318 | 2943764 | Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)nc1 | emolecules | -0.744727495 | |
Mol3319 | 44786343 | O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 | emolecules | -0.397940009 | |
Mol3320 | 25835303 | Cc1ccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCCO3)cc1 | emolecules | -0.48148606 | |
Mol3321 | 36514544 | Cc1[nH]ncc1-c1nn2c(Cc3ccccc3Cl)nnc2s1 | emolecules | 0.621176282 | |
Mol3322 | 50577912 | Nc1nc2c(N)ncnc2[nH]1 | emolecules | 1.250420002 | |
Mol3323 | 25833603 | COc1ccc(C2=N/C(=C/c3cc4ccccc4n3C(C)=O)C(=O)O2)cc1 | emolecules | 0.369215857 | |
Mol3324 | 35691838 | c1ccc2nc(N3CCC(c4nc5ccccc5[nH]4)CC3)cnc2c1 | emolecules | 0.380211242 | |
Mol3325 | 24120995 | COc1cc(CC(=O)Nc2ccccc2F)ccc1C | emolecules | 1.414639147 | |
Mol3326 | 3234233 | COc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1 | emolecules | -0.886056648 | |
Mol3327 | 32442133 | Cc1cc(OCc2cc(C#N)ccc2F)ccc1N | emolecules | 1.40534636 | |
Mol3328 | 32030346 | Cc1ncc(CN(C)c2nnc(C)c(C)c2C#N)s1 | emolecules | 1.45591024 | |
Mol3329 | 3569751 | CCN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 | emolecules | 0.146128036 | |
Mol3330 | 182470570 | O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 | emolecules | -0.397940009 | |
Mol3331 | 44584222 | CC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O | emolecules | 1.601081728 | |
Mol3332 | 324050048 | CNc1ccc(/C=C/C=C/c2nc3ccc(O)cc3s2)cn1 | emolecules | -0.657577319 | |
Mol3333 | 11971114 | COc1cccc(-c2nnn(-c3ncnc4sc5c(c34)CCC5)n2)c1 | emolecules | -0.585026652 | |
Mol3334 | 1397911 | NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 | emolecules | -0.823908741 | |
Mol3335 | 3087981 | Cc1cc(C)cc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1 | emolecules | -0.013228266 | |
Mol3336 | 3512324 | N#Cc1ccccc1OCn1nnc2ccccc2c1=O | emolecules | -0.187086643 | |
Mol3337 | 27444778 | Clc1cccc(Nc2ncnc3[nH]ncc23)c1Cl | emolecules | 0.509874285 | |
Mol3338 | 26367355 | N=C1/C(=C\c2ccco2)C(=O)N=C2Sc3ccccc3N12 | emolecules | -0.13667714 | |
Mol3339 | 36915020 | CN(C)S(=O)(=O)N(C1CCCC1)C1CC1 | emolecules | 1.513350799 | |
Mol3340 | 37173809 | O=C(Nc1ccc(F)cc1)[C@H](O)c1ccccc1 | emolecules | 1.632457292 | |
Mol3341 | 32434924 | CCn1nccc1-c1n[nH]c(=O)n1Cc1ccccc1 | emolecules | 1.430719888 | |
Mol3342 | 1512347 | COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 | emolecules | 0.311753861 | |
Mol3343 | 316166285 | CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(OS(=O)(=O)C(F)(F)F)c3n2)COC1 | emolecules | -0.397940009 | |
Mol3344 | 2624418 | COc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2 | emolecules | -0.455931956 | |
Mol3345 | 27042395 | Cc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12 | emolecules | -0.318758763 | |
Mol3346 | 5507213 | Cc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2 | emolecules | -0.48148606 | |
Mol3347 | 25833689 | COc1cccc(/C=C2/N=C(c3ccccc3)NC2=O)c1OC | emolecules | -0.48148606 | |
Mol3348 | MCULE-4830768577 | COCC(=O)N1CCN2C(=O)NC[C@H]2C1 | mcule | 1.584331224 | |
Mol3349 | 23277199 | CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1 | emolecules | -0.26760624 | |
Mol3350 | 36342988 | CCc1cc2c(N3CCN(Cc4nccn4C)CC3)ncnc2s1 | emolecules | 1.82445127 | |
Mol3351 | 30500911 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccn4)CC3)c2c1C | emolecules | 0.267171728 | |
Mol3352 | 46006927 | CC(=O)N[C@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O | emolecules | 1.822168079 | |
Mol3353 | 31924058 | CNC(=O)c1cc(-c2ccccc2)no1 | emolecules | 1.567731963 | |
Mol3354 | 3489200 | CCc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1 | emolecules | 1.748962861 | |
Mol3355 | 43273205 | CC(C)(C)OC(=O)N1CC=C(CCC(=O)NO)C1 | emolecules | 1.643353962 | |
Mol3356 | 49177826 | CN(C)c1nc(-c2cccc(-c3ccccc3)c2)n[nH]1 | emolecules | -0.091514981 | |
Mol3357 | 11839330 | CCn1nnc2cc(C(=O)Nc3cccc(C#N)c3)ccc21 | emolecules | 0.0 | |
Mol3358 | 48297228 | O=C(Nc1ccn(-c2ncccc2Cl)n1)c1csnn1 | emolecules | 1.454692449 | |
Mol3359 | 32103258 | O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 | emolecules | 1.628082261 | |
Mol3360 | 1524222 | COc1ccc(OC)c(N/C=C2\C(=O)Oc3ccccc3C2=O)c1 | emolecules | -0.15490196 | |
Mol3361 | 35170260 | N#Cc1nncn1CC(=O)Nc1ccc2ccccc2c1 | emolecules | 1.357172258 | |
Mol3362 | 24877260 | Cc1nc2ccc(C(=O)NCCCN3Cc4ccccc4C3)cc2[nH]1 | emolecules | 1.719579858 | |
Mol3363 | 43684064 | CC(Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(N)=O | emolecules | 0.33243846 | |
Mol3364 | 32176671 | CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1 | emolecules | -0.522878745 | |
Mol3365 | 50894602 | COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1 | emolecules | -0.508638306 | |
Mol3366 | 818580 | Cc1nn(-c2ccccc2)c(C)c1CN | emolecules | 1.305995883 | |
Mol3367 | 25830503 | O=C1NC(c2ccccc2)=N/C1=C/c1ccc2c(c1)OCO2 | emolecules | -0.508638306 | |
Mol3368 | 474938 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | emolecules | 1.737987326 | |
Mol3369 | 303172990 | N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CNC1 | emolecules | 1.5132176 | |
Mol3370 | 36642992 | CN(C)C(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1 | emolecules | 0.382017043 | |
Mol3371 | 42950490 | Clc1ccc2oc(/C=C/c3csnn3)nc2c1 | emolecules | -0.721246399 | |
Mol3372 | 1292308 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1 | emolecules | 1.255754787 | |
Mol3373 | 49432284 | Cn1cc(-c2nc(C(F)(F)F)c[nH]2)cn1 | emolecules | 1.604009932 | |
Mol3374 | 24072398 | O=C(CCc1cccs1)Nc1ccc(N2CCCC2)cn1 | emolecules | 0.071882007 | |
Mol3375 | 11841372 | C#CCNC(=O)CN1C(=O)c2ccccc2C1=O | emolecules | 1.589837943 | |
Mol3376 | 526139 | CC(C)(C)OC(=O)N1CCNC(=O)C1 | emolecules | 1.535167485 | |
Mol3377 | 36279404 | CCc1nc(COc2ccccc2Br)no1 | emolecules | 1.341236623 | |
Mol3378 | 31855143 | O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2ccccc21 | emolecules | -0.075720714 | |
Mol3379 | 662095 | COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1 | emolecules | -0.602059991 | |
Mol3380 | 48233682 | CCn1cnnc1C1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1 | emolecules | 1.540954809 | |
Mol3381 | 31378730 | O=C(c1ccco1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1 | emolecules | 1.843544212 | |
Mol3382 | 32126547 | N#CCN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1 | emolecules | 1.585686278 | |
Mol3383 | 594797 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 | emolecules | 1.628695383 | |
Mol3384 | 3028979 | N#Cc1cccc(NC(=O)C2CCC2)c1 | emolecules | 1.528402438 | |
Mol3385 | 366142 | N=C(NC(=O)OCc1ccccc1)c1ccc(CN)cc1 | emolecules | 1.48586333 | |
Mol3386 | 11845997 | N#Cc1ccc(COc2ccccc2C#N)cc1 | emolecules | 0.23299611 | |
Mol3387 | 1528442 | O=C1CCCc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 | emolecules | -0.795880017 | |
Mol3388 | 27408698 | Cc1nc(C(=O)NC2CC2)ccc1C#N | emolecules | 1.558348509 | |
Mol3389 | 31833279 | O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1F | emolecules | 1.648750213 | |
Mol3390 | 35755211 | Cc1nnc(N2CCC(CNc3ccc(C#N)cn3)C2)c(C#N)c1C | emolecules | 0.911157609 | |
Mol3391 | 43248621 | CC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1 | emolecules | 1.493597449 | |
Mol3392 | 25661862 | CC(C)(C)c1noc(COc2ccccc2C#N)n1 | emolecules | 1.610873 | |
Mol3393 | 43643947 | O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)NCC(F)(F)F | emolecules | -0.443697499 | |
Mol3394 | 35761475 | Cc1ccnc(NC(=O)CN(C)c2ncnc3sc4c(c23)CCC(C)C4)c1 | emolecules | 0.588831726 | |
Mol3395 | 2528466 | CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1F | emolecules | -0.468521083 | |
Mol3396 | 3232909 | N#Cc1cnn(-c2nc(-c3ccc(Br)s3)cs2)c1N | emolecules | 0.278753601 | |
Mol3397 | 49894831 | c1cnn(-c2ccc(-c3ccc(NC4CC4)nn3)cc2)c1 | emolecules | -0.107905397 | |
Mol3398 | 31851010 | N#CCc1ccc(NC(=O)C2CC2)cc1 | emolecules | 1.485011215 | |
Mol3399 | 48258567 | Cc1nnnn1CCCc1ccccc1 | emolecules | 0.753583059 | |
Mol3400 | 49956806 | CC1(C)C(=O)N(Cc2ccc(CO)cc2)C(=O)c2ccccc21 | emolecules | 1.438700533 | |
Mol3401 | 3377659 | Fc1cccc(Oc2nnnn2-c2ccccc2)c1 | emolecules | 1.116275588 | |
Mol3402 | 1333984 | CCCc1n[nH]c2c1C(C1CC=CCC1)C(C#N)=C(N)O2 | emolecules | 0.487138375 | |
Mol3403 | 42657149 | CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 | emolecules | -0.180456064 | |
Mol3404 | 20778695 | CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1 | emolecules | 1.689885759 | |
Mol3405 | 2495613 | c1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1 | emolecules | -0.769551079 | |
Mol3406 | 1292330 | CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1 | emolecules | 0.273001272 | |
Mol3407 | 3530273 | O=C(c1cc(Oc2cccc(F)c2)nc2ccccc12)N1CCOCC1 | emolecules | 1.206556044 | |
Mol3408 | 49332450 | Cc1c(Nc2ccc3nccnc3n2)cnn1C | emolecules | 1.501333179 | |
Mol3409 | 36916701 | Cc1ccc2c(CC(=O)N(C)CC(N)=O)coc2c1C | emolecules | 1.542949849 | |
Mol3410 | 338364 | O=C(NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12)c1cccs1 | emolecules | 1.8162413 | |
Mol3411 | 32103272 | O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(C2CC2)n[nH]1 | emolecules | 1.641969598 | |
Mol3412 | 30032301 | Cn1cc(C(=O)O)c(-c2cccnc2)n1 | emolecules | 1.610873 | |
Mol3413 | 25833741 | COc1cccc(/C=C2/N=C(c3ccccc3C)NC2=O)c1OC | emolecules | -0.455931956 | |
Mol3414 | 3139222 | O=C(CN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1F | emolecules | 1.698970004 | |
Mol3415 | 32429346 | Cc1cccc(Cl)c1-n1c(C)n[nH]c1=O | emolecules | 1.207634367 | |
Mol3416 | 30548893 | COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2 | emolecules | 1.605089462 | |
Mol3417 | 31360193 | CC(C)CC(=O)Nc1ccc(Cl)c(C#N)c1 | emolecules | 1.3818368 | |
Mol3418 | 45755935 | Cc1ccc(C)n1-c1ccc(CNS(C)(=O)=O)cc1 | emolecules | 1.383815366 | |
Mol3419 | 32176507 | C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1 | emolecules | -0.397940009 | |
Mol3420 | 1542031 | COc1ccc(Nc2nc3ccccc3c3nncn23)cc1 | emolecules | -0.853871964 | |
Mol3421 | 2872152 | Cc1noc2nc(-c3ccccc3F)cc(C(=O)O)c12 | emolecules | 1.592287816 | |
Mol3422 | 13192839 | OC(CNCc1ccc(OCc2cccs2)cc1)c1ccccc1 | emolecules | 1.63286204 | |
Mol3423 | LN00222715 | O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | labnetworkBB | 1.773786445 | |
Mol3424 | 30765739 | COc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc1OC | emolecules | -0.568636236 | |
Mol3425 | 6669977 | COc1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccc(C)o3)cc2)c1 | emolecules | -0.397940009 | |
Mol3426 | 49157678 | Cc1nnc(-c2ccccc2-c2c[nH]nc2C)s1 | emolecules | 1.490239485 | |
Mol3427 | 2020320 | NC(=O)c1sc2cc(F)ccc2c1Cl | emolecules | -0.301029996 | |
Mol3428 | 49839446 | c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1 | emolecules | -1.0 | |
Mol3429 | 28294719 | Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] | emolecules | 1.476396827 | |
Mol3430 | 49975424 | CN(C)S(=O)(=O)Nc1ccc2sncc2c1 | emolecules | 1.72916479 | |
Mol3431 | 48802389 | O=S(=O)(NCC1C2CC3CC(C2)CC1C3)C1CCOCC1 | emolecules | 1.765072201 | |
Mol3432 | 31413760 | N#Cc1c(O)c(Cl)c(Cl)c(C#N)c1Cl | emolecules | 1.495544338 | |
Mol3433 | 2792914 | N#Cc1cc(-c2ccccc2)sc1N | emolecules | 0.477121255 | |
Mol3434 | 17654574 | CCC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 | emolecules | 1.72607487 | |
Mol3435 | 36983036 | COc1ccc(CN(C)C(=O)C2(C#N)CCC2)cc1 | emolecules | 1.752662943 | |
Mol3436 | 2332042 | COc1nc(C#N)c(N2CCOCC2)o1 | emolecules | 1.647480773 | |
Mol3437 | 302078489 | CNCC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 | emolecules | 1.941014244 | |
Mol3438 | 2067340 | O=c1c(N2CCCC2)c(Cl)cnn1-c1ccccc1 | emolecules | 1.233757363 | |
Mol3439 | 833873 | c1ccc2[nH]c(C3CCNCC3)nc2c1 | emolecules | 1.750354089 | |
Mol3440 | Z2736610334 | Cc1ccc(F)c(N(C#N)Cc2nnc(C)o2)c1 | enamineHTS | 1.649140064 | |
Mol3441 | 33313401 | Cc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1 | emolecules | 1.84135947 | |
Mol3442 | 18904582 | NC(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1 | emolecules | 1.613313161 | |
Mol3443 | 300466171 | Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1 | emolecules | -0.698970004 | |
Mol3444 | 29272010 | COc1cc(OC)cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 | emolecules | -0.408935393 | |
Mol3445 | 32124735 | Cn1cc(-c2nc(C(=O)Nc3cccnc3-n3cncn3)cs2)cn1 | emolecules | 0.282168778 | |
Mol3446 | 36290020 | CN(C)CCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21 | emolecules | 1.728434951 | |
Mol3447 | 3184655 | CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccccc3OC)cc2)cc1 | emolecules | -0.366531544 | |
Mol3448 | 1185031 | CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O | emolecules | -0.823908741 | |
Mol3449 | 338386 | CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCN(Cc2ccccc2O)CC1 | emolecules | -0.167491087 | |
Mol3450 | 4133861 | O=C(CCn1cc(Br)cn1)Nc1nc2ccccc2n1CCN1CCOCC1 | emolecules | 1.626340367 | |
Mol3451 | 2756231 | Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 | emolecules | -0.070581074 | |
Mol3452 | 3966787 | O=C(Nc1nc2ccccc2[nH]1)c1cccnc1 | emolecules | -0.698970004 | |
Mol3453 | 4008205 | Cn1c(NC(=O)C2CC2c2ccc(Cl)cc2)nc2ccccc21 | emolecules | -0.522878745 | |
Mol3454 | 4025818 | Cn1c(NC(=O)c2ccn(COc3ccccc3)n2)nc2ccccc21 | emolecules | 0.763427994 | |
Mol3455 | 3583372 | O=C(Nc1nc2ccccc2[nH]1)c1ccccc1 | emolecules | 0.217483944 | |
Mol3456 | 2095197 | O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1 | emolecules | 0.041392685 | |
Mol3457 | 3640461 | COc1ccc(-c2csc(CC(N)=O)n2)cc1Br | emolecules | 1.574609941 | |
Mol3458 | 11478201 | N#Cc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 | emolecules | 1.659821158 | |
Mol3459 | 49167258 | CSCc1noc(COc2ccc(F)cc2F)n1 | emolecules | 1.238046103 | |
Mol3460 | 11979193 | COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 | emolecules | -0.13667714 | |
Mol3461 | 45673625 | CN(Cc1cnccn1)C(=O)c1cc(-c2ccc(F)cc2)on1 | emolecules | 1.203848464 | |
Mol3462 | 499093 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | emolecules | 0.571126277 | |
Mol3463 | 34756672 | O=C(COc1ccc(F)cc1F)N1CCNC1=O | emolecules | 1.98686127 | |
Mol3464 | 2039729 | NC(=O)Cn1nnc(-c2ccccc2F)n1 | emolecules | 1.062581984 | |
Mol3465 | 49292615 | O=C(Nc1ccc(Cl)cc1)C(=O)N(C1CCCC1)C1CC1 | emolecules | 1.46834733 | |
Mol3466 | 11477117 | CC(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)C)ccc12 | emolecules | -0.327902142 | |
Mol3467 | 502836 | COC(=O)Nc1nc2ccccc2[nH]1 | emolecules | 0.90579588 | |
Mol3468 | 31707130 | N#CCCn1nc(C(F)(F)F)cc1O | emolecules | 1.36398783 | |
Mol3469 | 44466409 | COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2cc(O)c(Cl)cc2Cl)c1 | emolecules | 1.440279213 | |
Mol3470 | 30448019 | O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cc(COc2ccc(F)cc2)on1 | emolecules | 1.214048679 | |
Mol3471 | 30011122 | CN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C | emolecules | 1.476396827 | |
Mol3472 | 3544138 | Cc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O | emolecules | 1.69818757 | |
Mol3473 | 24074146 | Cc1cc(NC(=O)c2ccc(Cl)cc2F)no1 | emolecules | 0.84509804 | |
Mol3474 | 32025682 | COc1cc(C#N)ccc1Oc1nc2ccccc2o1 | emolecules | 0.939519253 | |
Mol3475 | 2874705 | Cc1cc(C(=O)O)c2ccc(F)cc2n1 | emolecules | 1.394451681 | |
Mol3476 | 1375250 | Cc1ccccc1N(CC(=O)O)S(C)(=O)=O | emolecules | 1.649918719 | |
Mol3477 | 24144400 | C#CCNC(=O)c1ccc(OC)c(OC)c1 | emolecules | 1.42975228 | |
Mol3478 | 7639869 | Nc1ccc(N2C(=O)CCCC2=O)cc1 | emolecules | 1.447158031 | |
Mol3479 | 44786242 | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 | emolecules | 1.803115555 | |
Mol3480 | 31846326 | CS(=O)(=O)NCCc1ccc2c(c1)OCCO2 | emolecules | 1.50758604 | |
Mol3481 | 35686126 | CCN1C(=O)C(=O)N(Cc2sc3ccccc3c2Cl)C1=O | emolecules | -0.522878745 | |
Mol3482 | 4041848 | O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc12 | emolecules | -0.346787486 | |
Mol3483 | 3266371 | O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl | emolecules | -0.259637311 | |
Mol3484 | 1934635 | CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O | emolecules | -0.004364805 | |
Mol3485 | 3062385 | CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2 | emolecules | 0.281033367 | |
Mol3486 | 4957702 | Cn1ncc2c(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncnc21 | emolecules | -0.886056648 | |
Mol3487 | 16770511 | Cc1cnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1 | emolecules | -0.494850022 | |
Mol3488 | 32443758 | N#CCn1c(C(=O)O)cc2ccccc21 | emolecules | 1.618152733 | |
Mol3489 | 1334330 | NC(=O)Cn1nnc(-c2ccccc2)n1 | emolecules | 1.041392685 | |
Mol3490 | 316164452 | C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21 | emolecules | -0.327902142 | |
Mol3491 | 36910501 | CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 | emolecules | -0.677780705 | |
Mol3492 | 106926746 | COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)[nH]n1 | emolecules | -0.214670165 | |
Mol3493 | 36272797 | Cc1cc(C)cc(C(=O)NCCCNc2ncccn2)c1 | emolecules | 1.720448737 | |
Mol3494 | 48313392 | CCc1noc(COc2c(C)ccnc2Cl)n1 | emolecules | 1.366982976 | |
Mol3495 | 37024444 | CC(C)(C)Cc1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 | emolecules | 0.600972896 | |
Mol3496 | 419556 | Cc1nonc1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 | emolecules | 1.786751422 | |
Mol3497 | 42587186 | CN1CC(=O)N(CCOc2ccccc2)C1=O | emolecules | 1.36267093 |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment